diff --git a/_autosummary/ocpmodels.common.distutils.html b/_autosummary/ocpmodels.common.distutils.html
index 2ddb469a6..0e3e93c93 100644
--- a/_autosummary/ocpmodels.common.distutils.html
+++ b/_autosummary/ocpmodels.common.distutils.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.common.flags.html b/_autosummary/ocpmodels.common.flags.html
index 89fe9c4c3..189f25d56 100644
--- a/_autosummary/ocpmodels.common.flags.html
+++ b/_autosummary/ocpmodels.common.flags.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.common.gp_utils.html b/_autosummary/ocpmodels.common.gp_utils.html
index c9e8b7243..dee2af65b 100644
--- a/_autosummary/ocpmodels.common.gp_utils.html
+++ b/_autosummary/ocpmodels.common.gp_utils.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.common.html b/_autosummary/ocpmodels.common.html
index 8a68f665e..0f1e4d8c5 100644
--- a/_autosummary/ocpmodels.common.html
+++ b/_autosummary/ocpmodels.common.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.common.registry.html b/_autosummary/ocpmodels.common.registry.html
index e99d2ffe1..4ef31136e 100644
--- a/_autosummary/ocpmodels.common.registry.html
+++ b/_autosummary/ocpmodels.common.registry.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.common.relaxation.html b/_autosummary/ocpmodels.common.relaxation.html
index 86735a46c..71107d615 100644
--- a/_autosummary/ocpmodels.common.relaxation.html
+++ b/_autosummary/ocpmodels.common.relaxation.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.common.relaxation.optimizers.html b/_autosummary/ocpmodels.common.relaxation.optimizers.html
index f854e653c..537a3881a 100644
--- a/_autosummary/ocpmodels.common.relaxation.optimizers.html
+++ b/_autosummary/ocpmodels.common.relaxation.optimizers.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.common.typing.html b/_autosummary/ocpmodels.common.typing.html
index 5b74f6a46..0508fa6f8 100644
--- a/_autosummary/ocpmodels.common.typing.html
+++ b/_autosummary/ocpmodels.common.typing.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.html b/_autosummary/ocpmodels.html
index 1128c5cd3..ab263dd0e 100644
--- a/_autosummary/ocpmodels.html
+++ b/_autosummary/ocpmodels.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet.html b/_autosummary/ocpmodels.models.gemnet.html
index bcd965fed..73b39d830 100644
--- a/_autosummary/ocpmodels.models.gemnet.html
+++ b/_autosummary/ocpmodels.models.gemnet.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet.initializers.html b/_autosummary/ocpmodels.models.gemnet.initializers.html
index 8926bab3b..0477622ae 100644
--- a/_autosummary/ocpmodels.models.gemnet.initializers.html
+++ b/_autosummary/ocpmodels.models.gemnet.initializers.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet.layers.atom_update_block.html b/_autosummary/ocpmodels.models.gemnet.layers.atom_update_block.html
index 2bf0bc8cc..0c4d454b1 100644
--- a/_autosummary/ocpmodels.models.gemnet.layers.atom_update_block.html
+++ b/_autosummary/ocpmodels.models.gemnet.layers.atom_update_block.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet.layers.base_layers.html b/_autosummary/ocpmodels.models.gemnet.layers.base_layers.html
index 6906cdde1..d9e202d02 100644
--- a/_autosummary/ocpmodels.models.gemnet.layers.base_layers.html
+++ b/_autosummary/ocpmodels.models.gemnet.layers.base_layers.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet.layers.efficient.html b/_autosummary/ocpmodels.models.gemnet.layers.efficient.html
index 7c82b7167..43ac646ec 100644
--- a/_autosummary/ocpmodels.models.gemnet.layers.efficient.html
+++ b/_autosummary/ocpmodels.models.gemnet.layers.efficient.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet.layers.embedding_block.html b/_autosummary/ocpmodels.models.gemnet.layers.embedding_block.html
index eee11ba43..177914c89 100644
--- a/_autosummary/ocpmodels.models.gemnet.layers.embedding_block.html
+++ b/_autosummary/ocpmodels.models.gemnet.layers.embedding_block.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet.layers.html b/_autosummary/ocpmodels.models.gemnet.layers.html
index 957536877..673b83b81 100644
--- a/_autosummary/ocpmodels.models.gemnet.layers.html
+++ b/_autosummary/ocpmodels.models.gemnet.layers.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet.layers.interaction_block.html b/_autosummary/ocpmodels.models.gemnet.layers.interaction_block.html
index bbe07fd98..eac6afb53 100644
--- a/_autosummary/ocpmodels.models.gemnet.layers.interaction_block.html
+++ b/_autosummary/ocpmodels.models.gemnet.layers.interaction_block.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet.utils.html b/_autosummary/ocpmodels.models.gemnet.utils.html
index b7f2e5e6c..e254a3aa0 100644
--- a/_autosummary/ocpmodels.models.gemnet.utils.html
+++ b/_autosummary/ocpmodels.models.gemnet.utils.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_gp.html b/_autosummary/ocpmodels.models.gemnet_gp.html
index f0c58dca5..e778f8ba1 100644
--- a/_autosummary/ocpmodels.models.gemnet_gp.html
+++ b/_autosummary/ocpmodels.models.gemnet_gp.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_gp.initializers.html b/_autosummary/ocpmodels.models.gemnet_gp.initializers.html
index f8ce18bed..68e12f2a5 100644
--- a/_autosummary/ocpmodels.models.gemnet_gp.initializers.html
+++ b/_autosummary/ocpmodels.models.gemnet_gp.initializers.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_gp.layers.atom_update_block.html b/_autosummary/ocpmodels.models.gemnet_gp.layers.atom_update_block.html
index 08bb0de37..1f85541a5 100644
--- a/_autosummary/ocpmodels.models.gemnet_gp.layers.atom_update_block.html
+++ b/_autosummary/ocpmodels.models.gemnet_gp.layers.atom_update_block.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_gp.layers.base_layers.html b/_autosummary/ocpmodels.models.gemnet_gp.layers.base_layers.html
index 29a9ac1e4..c17abcb06 100644
--- a/_autosummary/ocpmodels.models.gemnet_gp.layers.base_layers.html
+++ b/_autosummary/ocpmodels.models.gemnet_gp.layers.base_layers.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_gp.layers.efficient.html b/_autosummary/ocpmodels.models.gemnet_gp.layers.efficient.html
index 6aa0fda24..db144dacb 100644
--- a/_autosummary/ocpmodels.models.gemnet_gp.layers.efficient.html
+++ b/_autosummary/ocpmodels.models.gemnet_gp.layers.efficient.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_gp.layers.embedding_block.html b/_autosummary/ocpmodels.models.gemnet_gp.layers.embedding_block.html
index 136c46212..d72a39bfa 100644
--- a/_autosummary/ocpmodels.models.gemnet_gp.layers.embedding_block.html
+++ b/_autosummary/ocpmodels.models.gemnet_gp.layers.embedding_block.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_gp.layers.html b/_autosummary/ocpmodels.models.gemnet_gp.layers.html
index f8aa80df3..dcb6fa0cd 100644
--- a/_autosummary/ocpmodels.models.gemnet_gp.layers.html
+++ b/_autosummary/ocpmodels.models.gemnet_gp.layers.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_gp.layers.interaction_block.html b/_autosummary/ocpmodels.models.gemnet_gp.layers.interaction_block.html
index d4133e06b..ba5be35e6 100644
--- a/_autosummary/ocpmodels.models.gemnet_gp.layers.interaction_block.html
+++ b/_autosummary/ocpmodels.models.gemnet_gp.layers.interaction_block.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
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 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_gp.utils.html b/_autosummary/ocpmodels.models.gemnet_gp.utils.html
index e7d330b55..e72daad92 100644
--- a/_autosummary/ocpmodels.models.gemnet_gp.utils.html
+++ b/_autosummary/ocpmodels.models.gemnet_gp.utils.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
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 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_oc.html b/_autosummary/ocpmodels.models.gemnet_oc.html
index 4559d4aa8..5eb0486d8 100644
--- a/_autosummary/ocpmodels.models.gemnet_oc.html
+++ b/_autosummary/ocpmodels.models.gemnet_oc.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_oc.initializers.html b/_autosummary/ocpmodels.models.gemnet_oc.initializers.html
index 0c567bf39..d4d4c57a7 100644
--- a/_autosummary/ocpmodels.models.gemnet_oc.initializers.html
+++ b/_autosummary/ocpmodels.models.gemnet_oc.initializers.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_oc.interaction_indices.html b/_autosummary/ocpmodels.models.gemnet_oc.interaction_indices.html
index 49085f019..2e5eaaf90 100644
--- a/_autosummary/ocpmodels.models.gemnet_oc.interaction_indices.html
+++ b/_autosummary/ocpmodels.models.gemnet_oc.interaction_indices.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_oc.layers.base_layers.html b/_autosummary/ocpmodels.models.gemnet_oc.layers.base_layers.html
index 7ac313040..fa0273cab 100644
--- a/_autosummary/ocpmodels.models.gemnet_oc.layers.base_layers.html
+++ b/_autosummary/ocpmodels.models.gemnet_oc.layers.base_layers.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_oc.layers.efficient.html b/_autosummary/ocpmodels.models.gemnet_oc.layers.efficient.html
index 179924b66..0f9dc2e00 100644
--- a/_autosummary/ocpmodels.models.gemnet_oc.layers.efficient.html
+++ b/_autosummary/ocpmodels.models.gemnet_oc.layers.efficient.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_oc.layers.embedding_block.html b/_autosummary/ocpmodels.models.gemnet_oc.layers.embedding_block.html
index 493cbbf4f..0e9e93695 100644
--- a/_autosummary/ocpmodels.models.gemnet_oc.layers.embedding_block.html
+++ b/_autosummary/ocpmodels.models.gemnet_oc.layers.embedding_block.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_oc.layers.force_scaler.html b/_autosummary/ocpmodels.models.gemnet_oc.layers.force_scaler.html
index ba6383a0e..829b872f7 100644
--- a/_autosummary/ocpmodels.models.gemnet_oc.layers.force_scaler.html
+++ b/_autosummary/ocpmodels.models.gemnet_oc.layers.force_scaler.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_oc.layers.html b/_autosummary/ocpmodels.models.gemnet_oc.layers.html
index cd82bb08b..09a66fc31 100644
--- a/_autosummary/ocpmodels.models.gemnet_oc.layers.html
+++ b/_autosummary/ocpmodels.models.gemnet_oc.layers.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_oc.layers.radial_basis.html b/_autosummary/ocpmodels.models.gemnet_oc.layers.radial_basis.html
index b5173c5f2..8bcd9ca8f 100644
--- a/_autosummary/ocpmodels.models.gemnet_oc.layers.radial_basis.html
+++ b/_autosummary/ocpmodels.models.gemnet_oc.layers.radial_basis.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.gemnet_oc.utils.html b/_autosummary/ocpmodels.models.gemnet_oc.utils.html
index fd2602101..fe40469d9 100644
--- a/_autosummary/ocpmodels.models.gemnet_oc.utils.html
+++ b/_autosummary/ocpmodels.models.gemnet_oc.utils.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.html b/_autosummary/ocpmodels.models.html
index 84a4f0be0..1665f48d3 100644
--- a/_autosummary/ocpmodels.models.html
+++ b/_autosummary/ocpmodels.models.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.painn.html b/_autosummary/ocpmodels.models.painn.html
index ea9650cd8..06af2a8d3 100644
--- a/_autosummary/ocpmodels.models.painn.html
+++ b/_autosummary/ocpmodels.models.painn.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.painn.utils.html b/_autosummary/ocpmodels.models.painn.utils.html
index 56a28f486..3a43fc2da 100644
--- a/_autosummary/ocpmodels.models.painn.utils.html
+++ b/_autosummary/ocpmodels.models.painn.utils.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.scn.html b/_autosummary/ocpmodels.models.scn.html
index a29e77dad..6c094ab13 100644
--- a/_autosummary/ocpmodels.models.scn.html
+++ b/_autosummary/ocpmodels.models.scn.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.scn.sampling.html b/_autosummary/ocpmodels.models.scn.sampling.html
index db45f5996..53b394013 100644
--- a/_autosummary/ocpmodels.models.scn.sampling.html
+++ b/_autosummary/ocpmodels.models.scn.sampling.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.scn.smearing.html b/_autosummary/ocpmodels.models.scn.smearing.html
index 14801ffa6..486b38c49 100644
--- a/_autosummary/ocpmodels.models.scn.smearing.html
+++ b/_autosummary/ocpmodels.models.scn.smearing.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.scn.spherical_harmonics.html b/_autosummary/ocpmodels.models.scn.spherical_harmonics.html
index 28fd58b6f..c2a387093 100644
--- a/_autosummary/ocpmodels.models.scn.spherical_harmonics.html
+++ b/_autosummary/ocpmodels.models.scn.spherical_harmonics.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.utils.activations.html b/_autosummary/ocpmodels.models.utils.activations.html
index eacfea646..5483e39de 100644
--- a/_autosummary/ocpmodels.models.utils.activations.html
+++ b/_autosummary/ocpmodels.models.utils.activations.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.utils.basis.html b/_autosummary/ocpmodels.models.utils.basis.html
index 638858194..313a24bf6 100644
--- a/_autosummary/ocpmodels.models.utils.basis.html
+++ b/_autosummary/ocpmodels.models.utils.basis.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.models.utils.html b/_autosummary/ocpmodels.models.utils.html
index cea7ffe60..eabeb89fc 100644
--- a/_autosummary/ocpmodels.models.utils.html
+++ b/_autosummary/ocpmodels.models.utils.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.modules.evaluator.html b/_autosummary/ocpmodels.modules.evaluator.html
index 2f5d32558..b3cf4eff5 100644
--- a/_autosummary/ocpmodels.modules.evaluator.html
+++ b/_autosummary/ocpmodels.modules.evaluator.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.modules.exponential_moving_average.html b/_autosummary/ocpmodels.modules.exponential_moving_average.html
index 76bbdc8fa..468be4abb 100644
--- a/_autosummary/ocpmodels.modules.exponential_moving_average.html
+++ b/_autosummary/ocpmodels.modules.exponential_moving_average.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.modules.html b/_autosummary/ocpmodels.modules.html
index be9238de4..9edaa6b5a 100644
--- a/_autosummary/ocpmodels.modules.html
+++ b/_autosummary/ocpmodels.modules.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.modules.loss.html b/_autosummary/ocpmodels.modules.loss.html
index c7b6e6c7b..984898d50 100644
--- a/_autosummary/ocpmodels.modules.loss.html
+++ b/_autosummary/ocpmodels.modules.loss.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.modules.normalizer.html b/_autosummary/ocpmodels.modules.normalizer.html
index 776d9fd29..5adaf806f 100644
--- a/_autosummary/ocpmodels.modules.normalizer.html
+++ b/_autosummary/ocpmodels.modules.normalizer.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.modules.scaling.compat.html b/_autosummary/ocpmodels.modules.scaling.compat.html
index fa0372406..8327399ec 100644
--- a/_autosummary/ocpmodels.modules.scaling.compat.html
+++ b/_autosummary/ocpmodels.modules.scaling.compat.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.modules.scaling.html b/_autosummary/ocpmodels.modules.scaling.html
index d383fd88e..ec7c08905 100644
--- a/_autosummary/ocpmodels.modules.scaling.html
+++ b/_autosummary/ocpmodels.modules.scaling.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.modules.scaling.scale_factor.html b/_autosummary/ocpmodels.modules.scaling.scale_factor.html
index 7e8c2725e..20c2c5d6d 100644
--- a/_autosummary/ocpmodels.modules.scaling.scale_factor.html
+++ b/_autosummary/ocpmodels.modules.scaling.scale_factor.html
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_autosummary/ocpmodels.modules.scaling.util.html b/_autosummary/ocpmodels.modules.scaling.util.html
index d976455e7..c3f7c3750 100644
--- a/_autosummary/ocpmodels.modules.scaling.util.html
+++ b/_autosummary/ocpmodels.modules.scaling.util.html
@@ -175,43 +175,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
diff --git a/_sources/core/DATASET_PER_ADSORBATE.md b/_sources/core/DATASET_PER_ADSORBATE.md
deleted file mode 100644
index be8a96752..000000000
--- a/_sources/core/DATASET_PER_ADSORBATE.md
+++ /dev/null
@@ -1,112 +0,0 @@
-# Per-adsorbate trajectories
-
-
-Download links are in the table below:
-
-|Adsorbate symbol	|Downloadable path	|size	|MD5 checksum	|
-|---	|---	|---	|---	|
-|*O	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/0.tar	|1006M	|d4151542856b4b6405f276808f75358a	|
-|*H	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/1.tar	|850M	|3697f04faf04251a23da8b88a78209f7	|
-|*OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/2.tar	|1.6G	|a21081f3f55eb0c98a91021bbe3dac44	|
-|*OH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/3.tar	|1.8G	|b12b706854f5d899e02a9ae6578b5d45	|
-|*C	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/4.tar	|1.1G	|e4fe9890764fcf59e01e3ceab089b978	|
-|*CH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/6.tar	|1.4G	|ec9aa2c4c4bd4419359438ba7fbb881d	|
-|*CHO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/7.tar	|1.4G	|d32200f74ad5c3bfd42e8835f36d57ab	|
-|*COH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/8.tar	|1.6G	|5418a1b331f6c7689a5405cca4cc8d15	|
-|*CH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/9.tar	|1.6G	|8ee1066149c305d7c17c219b369c5a73	|
-|*CH2*O	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/10.tar	|1.7G	|960c2450814024b66f3c79121179ac60	|
-|*CHOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/11.tar	|1.8G	|60ac9f965f9589a3389483e3d1e58144	|
-|*CH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/12.tar	|1.7G	|7e123e6f4fb10d6897be3f47721dfd4a	|
-|*OCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/13.tar	|1.8G	|0823047bbbe05fa0e63f9d83ec601487	|
-|*CH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/14.tar	|1.9G	|9ac71e198d75b1427182cd34abb73e4d	|
-|*CH4	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/15.tar	|1.9G	|a405ce403018bf8afbd4425d5c0b34d5	|
-|*OHCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/16.tar	|2.1G	|d3c829f1952db6e4f428273ee05f59b1	|
-|*C*C	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/17.tar	|1.5G	|d687a151345305897b9245af4b0f9967	|
-|*CCO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/18.tar	|1.7G	|214ca96e620c5ec6e8a6ff8144a22a04	|
-|*CCH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/19.tar	|1.6G	|da2268545e80ca1664026449dd2fdd24	|
-|*CHCO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/20.tar	|1.7G	|386c99407fe63080d26cda525dfdd8cd	|
-|*CCHO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/21.tar	|1.8G	|918b20960438494ab160a9dbd9668157	|
-|*COCHO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/22.tar	|1.8G	|84424aa2ad30301e23ece1438ea39923	|
-|*CCHOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/23.tar	|2.0G	|3cc90425ec042a70085ba7eb2916a79a	|
-|*CCH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/24.tar	|1.8G	|9dbcf7566e40965dd7f8a186a75a718e	|
-|*CH*CH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/25.tar	|1.7G	|a193b4c72f915ba0b21a41790696b23c	|
-|CH2*CO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/26.tar	|1.8G	|de83cf50247f5556fa4f9f64beff1eeb	|
-|*CHCHO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/27.tar	|1.9G	|1d140aaa2e7b287124ab38911a711d70	|
-|*CH*COH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/28.tar	|1.3G	|682d8a6b05ca5948b34dc5e5f6bbcd61	|
-|*COCH2O	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/29.tar	|1.9G	|c8742faa8ca40e8edb4110069817fa70	|
-|*CHO*CHO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/30.tar	|2.0G	|8cfbb67beb312b98c40fcb891dfa480a	|
-|*COHCHO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/31.tar	|1.9G	|6ffa903a62d8ec3319ecec6a03b06276	|
-|*COHCOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/32.tar	|2.0G	|caca0058b641bfdc9f8de4527e60feb7	|
-|*CCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/33.tar	|1.8G	|906543aaefc171edab388ff4f0fe8a20	|
-|*CHCH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/34.tar	|1.8G	|4dfab479495f76179749c1956046fbd8	|
-|*COCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/35.tar	|1.9G	|29d1b992715054e920e8bb2afe97b393	|
-|*CHCHOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/38.tar	|2.0G	|9e5912df6f7b11706d1046cdb9e3087e	|
-|*CCH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/39.tar	|2.1G	|7bcae43cee451306e34ec416588a7f09	|
-|*CHOCHOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/40.tar	|2.0G	|f98866d08fe3451ae7ebc47bb51599aa	|
-|*COCH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/41.tar	|1.4G	|bfaf689e5827fcf26c51e567bb8dd1be	|
-|*COHCHOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/42.tar	|2.0G	|236fe4e950aa2fbdde94ef2821fb48d2	|
-|*OCHCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/44.tar	|2.1G	|66acc5460a999625c3364f0f3bcca871	|
-|*COHCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/45.tar	|2.1G	|bb4a01956736399c8cee5e219f8c1229	|
-|*CHOHCH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/46.tar	|2.1G	|e836de4ec146b1b611533f1ef682cace	|
-|*CHCH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/47.tar	|2.0G	|66df44121806debef6dc038df7115d1d	|
-|*OCH2CHOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/48.tar	|2.2G	|ff6981fdbcd2e65d351505c15d218d76	|
-|*CHOCH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/49.tar	|2.1G	|448f7d352ab6e32f754e24de64ca302a	|
-|*COHCH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/50.tar	|2.1G	|8bff6bf3e10cc84acc4a283a375fcc23	|
-|*CHOHCHOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/51.tar	|2.0G	|9c9e4d617d306751760a80f1453e71f1	|
-|*CH2CH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/52.tar	|2.0G	|ec1e964d2ee6f468fa5773743e3994a4	|
-|*OCH2CH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/53.tar	|2.1G	|d297b27b02822f9b6af80bdb64aee819	|
-|*CHOHCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/54.tar	|2.1G	|368de083dafdc3bbdb560d35e2a102c0	|
-|*CH2CH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/55.tar	|2.1G	|3c1aaf790659f7ff89bf1eed8b396b63	|
-|*CHOHCH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/56.tar	|2.2G	|2d71adb9e305e6f3bca49e5df9b5a86a	|
-|*OHCH2CH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/57.tar	|2.3G	|cf51128f8522b7b66fc68d79980d6def	|
-|*NH2N(CH3)2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/58.tar	|1.6G	|36ba974d80c20ff636431f7c0ad225da	|
-|*ONN(CH3)2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/59.tar	|2.3G	|fdc4cd19977496909d61be4aee61c4f1	|
-|*OHNNCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/60.tar	|2.1G	|50a6ff098f9ba7adbba9ac115726cc5a	|
-|*ONH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/62.tar	|1.8G	|47573199c545afe46c554ff756c3e38f	|
-|*NHNH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/63.tar	|1.7G	|dd456b7e19ef592d9f0308d911b91d7c	|
-|*N*NH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/65.tar	|1.6G	|c05289fd56d64c74306ebf57f1061318	|
-|*NO2NO2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/67.tar	|2.1G	|4822a06f6c5f41bdefd3cbbd8856c11f	|
-|*N*NO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/68.tar	|1.6G	|2a27de122d32917cc5b6ac0a21c63c1c	|
-|*N2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/69.tar	|1.5G	|cc668fecf679b6edaac8fd8fb9cdd404	|
-|*ONNH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/70.tar	|2.1G	|dff880f1a5baa7f67b52fd3ed745443d	|
-|*NH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/71.tar	|1.6G	|c7f383b50faa6244e265c9611466cb8f	|
-|*NH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/72.tar	|1.9G	|2b355741f9300445703270e0e4b8c01c	|
-|*NONH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/73.tar	|1.8G	|48877a0c6f2994baac82cb722711aaa2	|
-|*NH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/74.tar	|1.4G	|7979b9e7ab557d6979b33e352486f0ef	|
-|*NO2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/75.tar	|1.7G	|9f352fbc32bb2b8caf4788aba28b2eb7	|
-|*NO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/76.tar	|1.4G	|482ee306a5ae2eee78cac40d10059ebc	|
-|*N	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/77.tar	|1.1G	|bfb6e03d4a687987ff68976f0793cc46	|
-|*NO3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/78.tar	|1.8G	|700834326e789a6e38bf3922d9fcb792	|
-|*OHNH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/79.tar	|2.1G	|fa24472e0c02c34d91f3ffe6b77bfb11	|
-|*ONOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/80.tar	|1.4G	|4ddcccd62a834a76fe6167461f512529	|
-|*CN	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/81.tar	|1.5G	|bc7c55330ece006d09496a5ff01d5d50	|
-
-
-Note - A few adsorbates are intentionally left out for the test splits.
-
-Downloading any of the above and extracting will result in a folder:
-
-`<index>/`
-
-* `system.txt` Text file containing information about the different adsorbate+catalyst system names. In total there are N systems. More details described below.
-* `<index>/`
-    * This contains N compressed trajectory files of the format `.extxyz.xz`.
-    * Files are named as  `<system_id>.extxyz.xz` (where `system_id` is defined below).
-
-
-where, `<index>` can be 0 to 81. N is dependent on which adsorbate index is chosen.
-
-
-
-The file  `system.txt`  has information in the following format:
-`system_id,reference_energy`
-
-where:
-
-* `system_id `- Internal random ID corresponding to an adsorbate+catalyst system.
-* `reference_energy` - Energy used to reference system energies to bare catalyst+gas reference energies. Used for adsorption energy calculations.
-
-
-The `.extxyz.xz` files are LZMA compressed `.extxyz` trajectory files. Each trajectory corresponds to a relaxation trajectory of a different adsorbate+catalyst system. Information about the `.extxyz` trajectory file format may be found at https://wiki.fysik.dtu.dk/ase/ase/io/formatoptions.html#extxyz.
-
-In order to uncompress the files, `uncompress.py` provides a multi-core implementation which could be used.
diff --git a/_sources/core/DATASET.md b/_sources/core/datasets/oc20.md
similarity index 57%
rename from _sources/core/DATASET.md
rename to _sources/core/datasets/oc20.md
index 540e4c5a4..72de8cbc3 100644
--- a/_sources/core/DATASET.md
+++ b/_sources/core/datasets/oc20.md
@@ -1,25 +1,3 @@
-# Open Catalyst datasets
-
-* [Open Catalyst 2020 (OC20)](#open-catalyst-2020-oc20)
-    * [Scripts to download and preprocess the data](#download-and-preprocess-the-dataset)
-    * [Structure to Energy and Forces (S2EF)](#structure-to-energy-and-forces-s2ef-task)
-    * [Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE)](#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-energy-is2re-tasks)
-    * [Relaxation Trajectories](#relaxation-trajectories)
-    * [Bader charge data](#bader-charge-data)
-    * [OC20 metadata](#oc20-mappings)
-    * [Changelog](#dataset-changelog)
-    * [License and bibtex](#citing-oc20)
-* [Open Catalyst 2022 (OC22)](#open-catalyst-2022-oc22)
-    * [Structure to Total Energy and Forces (S2EF-total)](#structure-to-total-energy-and-forces-s2ef-total-task)
-    * [Initial Structure to Relaxed Structure (IS2RS) / Relaxed Total Energy (IS2RE-total)](#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-total-energy-is2re-total-tasks)
-    * [Relaxation Trajectories](#relaxation-trajectories-1)
-    * [OC22 metadata](#oc22-mappings)
-    * [License and bibtex](#citing-oc22)
-* [Open Direct Air Capture 2023 (ODAC23)](#open-direct-air-capture-2023-odac23)
-    * [Structure to Energy and Forces (S2EF) task](#structure-to-energy-and-forces-s2ef-task)
-    * [Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE) tasks](#initial-structure-to-relaxed-structure-is2rs--relaxed-energy-is2re-tasks)
-
-* * *
 
 ## Open Catalyst 2020 (OC20)
 
@@ -351,178 +329,115 @@ Please consider citing the following paper in any research manuscript using the
 ```
 
 
-
-## Open Catalyst 2022 (OC22)
-
-### Structure to Total Energy and Forces (S2EF-Total) task
-
-For this task’s train, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input structures from all points in relaxation trajectories along with the energy of the structure and the atomic forces. The validation and test datasets are broken into subsplits based on in-distribution and out-of-distribution materials relative to the training dataset. All LMDBs are compressed into a single `.tar.gz` file.
-
-
-|Splits    |Size of compressed version (in bytes)    |Size of uncompressed version (in bytes)    | MD5 checksum (download link)    |
-|---    |---    |---    |---    |
-|Train (all splits) + Validation (all splits) + test (all splits)    |   20G |  71G  | [ebea523c6f8d61248a37b4dd660b11e6](https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/s2ef_total_train_val_test_lmdbs.tar.gz)
-|    |    |    |    |
-
-
-
-
-### Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Total Energy (IS2RE-Total) tasks
-
-For IS2RE-Total / IS2RS training, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input initial structures and the output relaxed structures and energies. The validation and test datasets are broken into subsplits based on in-distribution and out-of-distribution materials relative to the training dataset. All LMDBs are compressed into a single `.tar.gz` file.
-
-
-|Splits    |Size of compressed version (in bytes)    |Size of uncompressed version (in bytes)    | MD5 checksum (download link)    |
-|---    |---    |---    |---    |
-|Train (all splits) + Validation (all splits) + test (all splits)    |  109M |  424M  |  [b35dc24e99ef3aeaee6c5c949903de94](https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/is2res_total_train_val_test_lmdbs.tar.gz)  |
-|    |    |    |    |
-
-
-
-
-
-
-
-
-### Relaxation Trajectories
-
-#### System trajectories (optional download)
-
-
-We provide relaxation trajectories for all systems used in train and validation sets of S2EF-Total and IS2RE-Total/RS task:
-
-
-|Number    |Size of compressed version (in bytes)    |Size of uncompressed version (in bytes)    | MD5 checksum (download link)    |
-|---    |---    |---    |---    |
-| S2EF and IS2RE (both train and validation)   | 34G   |   80G  |  [977b6be1cbac6864e63c4c7fbf8a3fce](https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc22_trajectories.tar.gz)  |
-|    |    |    |    |
-
-
-
-
-
-### OC22 Mappings
-
-#### Data mapping information
-
-
-
-We provide a Python pickle file containing information about the slab and adsorbates for each of the systems in OC22 dataset. Loading the pickle file will load a Python dictionary. The keys of this dictionary are the system-ids (of the format `XYZ`  where `XYZ` is an integer, corresponding to the `sid` in the LMDB Data object), and the corresponding value of each key is a dictionary with information about:
-
-
-* `bulk_id`: Materials Project ID of the bulk system used corresponding the the catalyst surface
-* `bulk_symbols`: Chemical composition of the bulk counterpart
-* `miller_index`: 3-tuple of integers indicating the Miller indices of the surface
-* `traj_id`: Identifier associated with the accompanying raw trajectory (if available)
-* `slab_sid`: Identifier associated with the corresponding slab (if available)
-* `ads_symbols`: Chemical composition of the adsorbate counterpart (adosrbate+slabs only)
-* `nads`: Number of adsorbates present
-
-
-
-Downloadable link:  https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc22_metadata.pkl (MD5 checksum: `13dc06c6510346d8a7f614d5b26c8ffa` )
-
-
-An example adsorbate+slab entry:
-
-```
- 6877: {'bulk_id': 'mp-559112',
-  'miller_index': (1, 0, 0),
-  'nads': 1,
-  'traj_id': 'K2Zn6O7_mp-559112_RyQXa0N0uc_ohyUKozY3G',
-  'bulk_symbols': 'K4Zn12O14',
-  'slab_sid': 30859,
-  'ads_symbols': 'O2'},
-```
-
-An example slab entry:
-
-```
- 34815: {'bulk_id': 'mp-18793',
-  'miller_index': (1, 2, 1),
-  'nads': 0,
-  'traj_id': 'LiCrO2_mp-18793_clean_3HDHBg6TIz',
-  'bulk_symbols': 'Li2Cr2O4'},
-```
-
-####
-
-#### OC20 reference information
-
-
-In order to train models on OC20 total energy, we provide a Python pickle file containing the energy necessary to convert adsorption energy values to total energy. Loading the pickle file will load a Python dictionary. The keys of this dictionary are the system-ids (of the format `random<XYZ>`  where `XYZ` is an integer, corresponding to the `sid` in the LMDB Data object), and the corresponding value of each key is the energy to be added to OC20 energy values. To train on total energies for OC20, specify the path to this pickle file in your training configs.
-
-Downloadable link:  https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc20_ref.pkl (MD5 checksum: `043e1e0b0cce64c62f01a8563dbc3178`)
-####
-
-### Citing OC22
-
-The Open Catalyst 2022 (OC22) dataset is licensed under a [Creative Commons Attribution 4.0 License](https://creativecommons.org/licenses/by/4.0/legalcode).
-
-Please consider citing the following paper in any research manuscript using the OC22 dataset:
-
-
-```bibtex
-@article{oc22_dataset,
-    author = {Tran*, Richard and Lan*, Janice and Shuaibi*, Muhammed and Wood*, Brandon and Goyal*, Siddharth and Das, Abhishek and Heras-Domingo, Javier and Kolluru, Adeesh and Rizvi, Ammar and Shoghi, Nima and Sriram, Anuroop and Ulissi, Zachary and Zitnick, C. Lawrence},
-    title = {The Open Catalyst 2022 (OC22) dataset and challenges for oxide electrocatalysts},
-    journal = {ACS Catalysis},
-    year={2023},
-}
-```
-
-
-## Open Direct Air Capture 2023 (ODAC23)
-
-### Structure to Energy and Forces (S2EF) task
-
-We provide precomputed LMDBs for train, validation, and the various test sets that can be used directly with the dataloaders provided in our code. The LMDBs contain input structures from all points in relaxation trajectories along with the energy of the structure and the atomic forces. The dataset contains an in-domain test set and 4 out-of-domain test sets (ood-large, ood-linker, ood-topology, and ood-linker & topology). All LMDbs  are compressed into a single `.tar.gz` file.
-
-|Splits    |Size of compressed version (in bytes)    |Size of uncompressed version (in bytes)    | MD5 checksum (download link)    |
-|---    |---    |---    |---    |
-|Train + Validation + Test (all splits)    |  172G  |  476G  | [162f0660b2f1c9209c5b57f7b9e545a7](https://dl.fbaipublicfiles.com/large_objects/dac/datasets/odac23_s2ef.tar.gz )  |
-|    |    |    |    |
-
-The train and val splits are also available in `extxyz` formats. Each trajectory is in stored in a different `extxyz` file.
-
-|Splits    |Size of compressed version (in bytes)    |Size of uncompressed version (in bytes)    | MD5 checksum (download link)    |
-|---    |---    |---    |---    |
-|Train    |  232G  |  781G  | [381e72fd8b9c055065fd3afff6b0945b](https://dl.fbaipublicfiles.com/large_objects/dac/datasets/extxyz_train.tar.gz )  |
-|Val    |  5.1G  |  18G  | [09913759c6e0f8d649f7ec9dff9e0e8b](https://dl.fbaipublicfiles.com/dac/datasets/extxyz_val.tar.gz )  |
-|    |    |    |    |
-
-### Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE) tasks
-
-For IS2RE / IS2RS training, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input initial structures and the output relaxed structures and energies. The dataset contains an in-domain test set and 4 out-of-domain test sets (ood-large, ood-linker, ood-topology, and ood-linker & topology). All LMDBs are compressed into a single `.tar.gz` file.
-
-
-|Splits    |Size of compressed version (in bytes)    |Size of uncompressed version (in bytes)    | MD5 checksum (download link)    |
-|---    |---    |---    |---    |
-|Train + Validation + Test (all splits)    |  809M | 2.2G |  [f7f2f58669a30abae8cb9ba1b7f2bcd2](https://dl.fbaipublicfiles.com/dac/datasets/odac23_is2r.tar.gz )  |
-|    |    |    |    |
-
-### DDEC Charges
-
-We provide DDEC charges computed for all MOFs in the ODAC23 dataset. A small number of MOFs (~2%) are missing these charges because the DDEC calcuations failed for them.
-
-|Size of compressed version (in bytes)    |Size of uncompressed version (in bytes)    | MD5 checksum (download link)    |
-|---    |---    |---    |
-|  147M | 534M |  [81927b78d9e4184cc3c398e79760126a](https://dl.fbaipublicfiles.com/dac/datasets/ddec.tar.gz )  |
-|    |    |    |
-
-
-### Citing ODAC23
-
-The OpenDAC 2023 (ODAC23) dataset is licensed under a [Creative Commons Attribution 4.0 License](https://creativecommons.org/licenses/by/4.0/legalcode).
-
-Please consider citing the following paper in any research manuscript using the ODAC23 dataset:
-
-
-```bibtex
-@article{odac23_dataset,
-    author = {Anuroop Sriram and Sihoon Choi and Xiaohan Yu and Logan M. Brabson and Abhishek Das and Zachary Ulissi and Matt Uyttendaele and Andrew J. Medford and David S. Sholl},
-    title = {The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture},
-    year = {2023},
-    journal={arXiv preprint arXiv:2311.00341},
-}
-```
+## Per-adsorbate trajectories
+
+
+Download links are in the table below:
+
+|Adsorbate symbol	|Downloadable path	|size	|MD5 checksum	|
+|---	|---	|---	|---	|
+|*O	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/0.tar	|1006M	|d4151542856b4b6405f276808f75358a	|
+|*H	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/1.tar	|850M	|3697f04faf04251a23da8b88a78209f7	|
+|*OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/2.tar	|1.6G	|a21081f3f55eb0c98a91021bbe3dac44	|
+|*OH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/3.tar	|1.8G	|b12b706854f5d899e02a9ae6578b5d45	|
+|*C	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/4.tar	|1.1G	|e4fe9890764fcf59e01e3ceab089b978	|
+|*CH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/6.tar	|1.4G	|ec9aa2c4c4bd4419359438ba7fbb881d	|
+|*CHO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/7.tar	|1.4G	|d32200f74ad5c3bfd42e8835f36d57ab	|
+|*COH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/8.tar	|1.6G	|5418a1b331f6c7689a5405cca4cc8d15	|
+|*CH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/9.tar	|1.6G	|8ee1066149c305d7c17c219b369c5a73	|
+|*CH2*O	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/10.tar	|1.7G	|960c2450814024b66f3c79121179ac60	|
+|*CHOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/11.tar	|1.8G	|60ac9f965f9589a3389483e3d1e58144	|
+|*CH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/12.tar	|1.7G	|7e123e6f4fb10d6897be3f47721dfd4a	|
+|*OCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/13.tar	|1.8G	|0823047bbbe05fa0e63f9d83ec601487	|
+|*CH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/14.tar	|1.9G	|9ac71e198d75b1427182cd34abb73e4d	|
+|*CH4	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/15.tar	|1.9G	|a405ce403018bf8afbd4425d5c0b34d5	|
+|*OHCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/16.tar	|2.1G	|d3c829f1952db6e4f428273ee05f59b1	|
+|*C*C	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/17.tar	|1.5G	|d687a151345305897b9245af4b0f9967	|
+|*CCO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/18.tar	|1.7G	|214ca96e620c5ec6e8a6ff8144a22a04	|
+|*CCH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/19.tar	|1.6G	|da2268545e80ca1664026449dd2fdd24	|
+|*CHCO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/20.tar	|1.7G	|386c99407fe63080d26cda525dfdd8cd	|
+|*CCHO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/21.tar	|1.8G	|918b20960438494ab160a9dbd9668157	|
+|*COCHO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/22.tar	|1.8G	|84424aa2ad30301e23ece1438ea39923	|
+|*CCHOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/23.tar	|2.0G	|3cc90425ec042a70085ba7eb2916a79a	|
+|*CCH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/24.tar	|1.8G	|9dbcf7566e40965dd7f8a186a75a718e	|
+|*CH*CH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/25.tar	|1.7G	|a193b4c72f915ba0b21a41790696b23c	|
+|CH2*CO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/26.tar	|1.8G	|de83cf50247f5556fa4f9f64beff1eeb	|
+|*CHCHO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/27.tar	|1.9G	|1d140aaa2e7b287124ab38911a711d70	|
+|*CH*COH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/28.tar	|1.3G	|682d8a6b05ca5948b34dc5e5f6bbcd61	|
+|*COCH2O	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/29.tar	|1.9G	|c8742faa8ca40e8edb4110069817fa70	|
+|*CHO*CHO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/30.tar	|2.0G	|8cfbb67beb312b98c40fcb891dfa480a	|
+|*COHCHO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/31.tar	|1.9G	|6ffa903a62d8ec3319ecec6a03b06276	|
+|*COHCOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/32.tar	|2.0G	|caca0058b641bfdc9f8de4527e60feb7	|
+|*CCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/33.tar	|1.8G	|906543aaefc171edab388ff4f0fe8a20	|
+|*CHCH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/34.tar	|1.8G	|4dfab479495f76179749c1956046fbd8	|
+|*COCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/35.tar	|1.9G	|29d1b992715054e920e8bb2afe97b393	|
+|*CHCHOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/38.tar	|2.0G	|9e5912df6f7b11706d1046cdb9e3087e	|
+|*CCH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/39.tar	|2.1G	|7bcae43cee451306e34ec416588a7f09	|
+|*CHOCHOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/40.tar	|2.0G	|f98866d08fe3451ae7ebc47bb51599aa	|
+|*COCH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/41.tar	|1.4G	|bfaf689e5827fcf26c51e567bb8dd1be	|
+|*COHCHOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/42.tar	|2.0G	|236fe4e950aa2fbdde94ef2821fb48d2	|
+|*OCHCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/44.tar	|2.1G	|66acc5460a999625c3364f0f3bcca871	|
+|*COHCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/45.tar	|2.1G	|bb4a01956736399c8cee5e219f8c1229	|
+|*CHOHCH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/46.tar	|2.1G	|e836de4ec146b1b611533f1ef682cace	|
+|*CHCH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/47.tar	|2.0G	|66df44121806debef6dc038df7115d1d	|
+|*OCH2CHOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/48.tar	|2.2G	|ff6981fdbcd2e65d351505c15d218d76	|
+|*CHOCH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/49.tar	|2.1G	|448f7d352ab6e32f754e24de64ca302a	|
+|*COHCH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/50.tar	|2.1G	|8bff6bf3e10cc84acc4a283a375fcc23	|
+|*CHOHCHOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/51.tar	|2.0G	|9c9e4d617d306751760a80f1453e71f1	|
+|*CH2CH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/52.tar	|2.0G	|ec1e964d2ee6f468fa5773743e3994a4	|
+|*OCH2CH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/53.tar	|2.1G	|d297b27b02822f9b6af80bdb64aee819	|
+|*CHOHCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/54.tar	|2.1G	|368de083dafdc3bbdb560d35e2a102c0	|
+|*CH2CH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/55.tar	|2.1G	|3c1aaf790659f7ff89bf1eed8b396b63	|
+|*CHOHCH2OH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/56.tar	|2.2G	|2d71adb9e305e6f3bca49e5df9b5a86a	|
+|*OHCH2CH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/57.tar	|2.3G	|cf51128f8522b7b66fc68d79980d6def	|
+|*NH2N(CH3)2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/58.tar	|1.6G	|36ba974d80c20ff636431f7c0ad225da	|
+|*ONN(CH3)2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/59.tar	|2.3G	|fdc4cd19977496909d61be4aee61c4f1	|
+|*OHNNCH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/60.tar	|2.1G	|50a6ff098f9ba7adbba9ac115726cc5a	|
+|*ONH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/62.tar	|1.8G	|47573199c545afe46c554ff756c3e38f	|
+|*NHNH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/63.tar	|1.7G	|dd456b7e19ef592d9f0308d911b91d7c	|
+|*N*NH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/65.tar	|1.6G	|c05289fd56d64c74306ebf57f1061318	|
+|*NO2NO2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/67.tar	|2.1G	|4822a06f6c5f41bdefd3cbbd8856c11f	|
+|*N*NO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/68.tar	|1.6G	|2a27de122d32917cc5b6ac0a21c63c1c	|
+|*N2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/69.tar	|1.5G	|cc668fecf679b6edaac8fd8fb9cdd404	|
+|*ONNH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/70.tar	|2.1G	|dff880f1a5baa7f67b52fd3ed745443d	|
+|*NH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/71.tar	|1.6G	|c7f383b50faa6244e265c9611466cb8f	|
+|*NH3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/72.tar	|1.9G	|2b355741f9300445703270e0e4b8c01c	|
+|*NONH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/73.tar	|1.8G	|48877a0c6f2994baac82cb722711aaa2	|
+|*NH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/74.tar	|1.4G	|7979b9e7ab557d6979b33e352486f0ef	|
+|*NO2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/75.tar	|1.7G	|9f352fbc32bb2b8caf4788aba28b2eb7	|
+|*NO	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/76.tar	|1.4G	|482ee306a5ae2eee78cac40d10059ebc	|
+|*N	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/77.tar	|1.1G	|bfb6e03d4a687987ff68976f0793cc46	|
+|*NO3	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/78.tar	|1.8G	|700834326e789a6e38bf3922d9fcb792	|
+|*OHNH2	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/79.tar	|2.1G	|fa24472e0c02c34d91f3ffe6b77bfb11	|
+|*ONOH	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/80.tar	|1.4G	|4ddcccd62a834a76fe6167461f512529	|
+|*CN	|https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/81.tar	|1.5G	|bc7c55330ece006d09496a5ff01d5d50	|
+
+
+Note - A few adsorbates are intentionally left out for the test splits.
+
+Downloading any of the above and extracting will result in a folder:
+
+`<index>/`
+
+* `system.txt` Text file containing information about the different adsorbate+catalyst system names. In total there are N systems. More details described below.
+* `<index>/`
+    * This contains N compressed trajectory files of the format `.extxyz.xz`.
+    * Files are named as  `<system_id>.extxyz.xz` (where `system_id` is defined below).
+
+
+where, `<index>` can be 0 to 81. N is dependent on which adsorbate index is chosen.
+
+
+
+The file  `system.txt`  has information in the following format:
+`system_id,reference_energy`
+
+where:
+
+* `system_id `- Internal random ID corresponding to an adsorbate+catalyst system.
+* `reference_energy` - Energy used to reference system energies to bare catalyst+gas reference energies. Used for adsorption energy calculations.
+
+
+The `.extxyz.xz` files are LZMA compressed `.extxyz` trajectory files. Each trajectory corresponds to a relaxation trajectory of a different adsorbate+catalyst system. Information about the `.extxyz` trajectory file format may be found at https://wiki.fysik.dtu.dk/ase/ase/io/formatoptions.html#extxyz.
+
+In order to uncompress the files, `uncompress.py` provides a multi-core implementation which could be used.
diff --git a/_sources/core/datasets/oc22.md b/_sources/core/datasets/oc22.md
new file mode 100644
index 000000000..2d7a7bddc
--- /dev/null
+++ b/_sources/core/datasets/oc22.md
@@ -0,0 +1,119 @@
+
+## Open Catalyst 2022 (OC22)
+
+### Structure to Total Energy and Forces (S2EF-Total) task
+
+For this task’s train, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input structures from all points in relaxation trajectories along with the energy of the structure and the atomic forces. The validation and test datasets are broken into subsplits based on in-distribution and out-of-distribution materials relative to the training dataset. All LMDBs are compressed into a single `.tar.gz` file.
+
+
+|Splits    |Size of compressed version (in bytes)    |Size of uncompressed version (in bytes)    | MD5 checksum (download link)    |
+|---    |---    |---    |---    |
+|Train (all splits) + Validation (all splits) + test (all splits)    |   20G |  71G  | [ebea523c6f8d61248a37b4dd660b11e6](https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/s2ef_total_train_val_test_lmdbs.tar.gz)
+|    |    |    |    |
+
+
+
+
+### Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Total Energy (IS2RE-Total) tasks
+
+For IS2RE-Total / IS2RS training, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input initial structures and the output relaxed structures and energies. The validation and test datasets are broken into subsplits based on in-distribution and out-of-distribution materials relative to the training dataset. All LMDBs are compressed into a single `.tar.gz` file.
+
+
+|Splits    |Size of compressed version (in bytes)    |Size of uncompressed version (in bytes)    | MD5 checksum (download link)    |
+|---    |---    |---    |---    |
+|Train (all splits) + Validation (all splits) + test (all splits)    |  109M |  424M  |  [b35dc24e99ef3aeaee6c5c949903de94](https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/is2res_total_train_val_test_lmdbs.tar.gz)  |
+|    |    |    |    |
+
+
+
+
+
+
+
+
+### Relaxation Trajectories
+
+#### System trajectories (optional download)
+
+
+We provide relaxation trajectories for all systems used in train and validation sets of S2EF-Total and IS2RE-Total/RS task:
+
+
+|Number    |Size of compressed version (in bytes)    |Size of uncompressed version (in bytes)    | MD5 checksum (download link)    |
+|---    |---    |---    |---    |
+| S2EF and IS2RE (both train and validation)   | 34G   |   80G  |  [977b6be1cbac6864e63c4c7fbf8a3fce](https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc22_trajectories.tar.gz)  |
+|    |    |    |    |
+
+
+
+
+
+### OC22 Mappings
+
+#### Data mapping information
+
+
+
+We provide a Python pickle file containing information about the slab and adsorbates for each of the systems in OC22 dataset. Loading the pickle file will load a Python dictionary. The keys of this dictionary are the system-ids (of the format `XYZ`  where `XYZ` is an integer, corresponding to the `sid` in the LMDB Data object), and the corresponding value of each key is a dictionary with information about:
+
+
+* `bulk_id`: Materials Project ID of the bulk system used corresponding the the catalyst surface
+* `bulk_symbols`: Chemical composition of the bulk counterpart
+* `miller_index`: 3-tuple of integers indicating the Miller indices of the surface
+* `traj_id`: Identifier associated with the accompanying raw trajectory (if available)
+* `slab_sid`: Identifier associated with the corresponding slab (if available)
+* `ads_symbols`: Chemical composition of the adsorbate counterpart (adosrbate+slabs only)
+* `nads`: Number of adsorbates present
+
+
+
+Downloadable link:  https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc22_metadata.pkl (MD5 checksum: `13dc06c6510346d8a7f614d5b26c8ffa` )
+
+
+An example adsorbate+slab entry:
+
+```
+ 6877: {'bulk_id': 'mp-559112',
+  'miller_index': (1, 0, 0),
+  'nads': 1,
+  'traj_id': 'K2Zn6O7_mp-559112_RyQXa0N0uc_ohyUKozY3G',
+  'bulk_symbols': 'K4Zn12O14',
+  'slab_sid': 30859,
+  'ads_symbols': 'O2'},
+```
+
+An example slab entry:
+
+```
+ 34815: {'bulk_id': 'mp-18793',
+  'miller_index': (1, 2, 1),
+  'nads': 0,
+  'traj_id': 'LiCrO2_mp-18793_clean_3HDHBg6TIz',
+  'bulk_symbols': 'Li2Cr2O4'},
+```
+
+####
+
+#### OC20 reference information
+
+
+In order to train models on OC20 total energy, we provide a Python pickle file containing the energy necessary to convert adsorption energy values to total energy. Loading the pickle file will load a Python dictionary. The keys of this dictionary are the system-ids (of the format `random<XYZ>`  where `XYZ` is an integer, corresponding to the `sid` in the LMDB Data object), and the corresponding value of each key is the energy to be added to OC20 energy values. To train on total energies for OC20, specify the path to this pickle file in your training configs.
+
+Downloadable link:  https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc20_ref.pkl (MD5 checksum: `043e1e0b0cce64c62f01a8563dbc3178`)
+####
+
+### Citing OC22
+
+The Open Catalyst 2022 (OC22) dataset is licensed under a [Creative Commons Attribution 4.0 License](https://creativecommons.org/licenses/by/4.0/legalcode).
+
+Please consider citing the following paper in any research manuscript using the OC22 dataset:
+
+
+```bibtex
+@article{oc22_dataset,
+    author = {Tran*, Richard and Lan*, Janice and Shuaibi*, Muhammed and Wood*, Brandon and Goyal*, Siddharth and Das, Abhishek and Heras-Domingo, Javier and Kolluru, Adeesh and Rizvi, Ammar and Shoghi, Nima and Sriram, Anuroop and Ulissi, Zachary and Zitnick, C. Lawrence},
+    title = {The Open Catalyst 2022 (OC22) dataset and challenges for oxide electrocatalysts},
+    journal = {ACS Catalysis},
+    year={2023},
+}
+```
diff --git a/_sources/core/datasets/odac.md b/_sources/core/datasets/odac.md
new file mode 100644
index 000000000..fc7333c8b
--- /dev/null
+++ b/_sources/core/datasets/odac.md
@@ -0,0 +1,55 @@
+
+## Open Direct Air Capture 2023 (ODAC23)
+
+### Structure to Energy and Forces (S2EF) task
+
+We provide precomputed LMDBs for train, validation, and the various test sets that can be used directly with the dataloaders provided in our code. The LMDBs contain input structures from all points in relaxation trajectories along with the energy of the structure and the atomic forces. The dataset contains an in-domain test set and 4 out-of-domain test sets (ood-large, ood-linker, ood-topology, and ood-linker & topology). All LMDbs  are compressed into a single `.tar.gz` file.
+
+|Splits    |Size of compressed version (in bytes)    |Size of uncompressed version (in bytes)    | MD5 checksum (download link)    |
+|---    |---    |---    |---    |
+|Train + Validation + Test (all splits)    |  172G  |  476G  | [162f0660b2f1c9209c5b57f7b9e545a7](https://dl.fbaipublicfiles.com/large_objects/dac/datasets/odac23_s2ef.tar.gz )  |
+|    |    |    |    |
+
+The train and val splits are also available in `extxyz` formats. Each trajectory is in stored in a different `extxyz` file.
+
+|Splits    |Size of compressed version (in bytes)    |Size of uncompressed version (in bytes)    | MD5 checksum (download link)    |
+|---    |---    |---    |---    |
+|Train    |  232G  |  781G  | [381e72fd8b9c055065fd3afff6b0945b](https://dl.fbaipublicfiles.com/large_objects/dac/datasets/extxyz_train.tar.gz )  |
+|Val    |  5.1G  |  18G  | [09913759c6e0f8d649f7ec9dff9e0e8b](https://dl.fbaipublicfiles.com/dac/datasets/extxyz_val.tar.gz )  |
+|    |    |    |    |
+
+### Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE) tasks
+
+For IS2RE / IS2RS training, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input initial structures and the output relaxed structures and energies. The dataset contains an in-domain test set and 4 out-of-domain test sets (ood-large, ood-linker, ood-topology, and ood-linker & topology). All LMDBs are compressed into a single `.tar.gz` file.
+
+
+|Splits    |Size of compressed version (in bytes)    |Size of uncompressed version (in bytes)    | MD5 checksum (download link)    |
+|---    |---    |---    |---    |
+|Train + Validation + Test (all splits)    |  809M | 2.2G |  [f7f2f58669a30abae8cb9ba1b7f2bcd2](https://dl.fbaipublicfiles.com/dac/datasets/odac23_is2r.tar.gz )  |
+|    |    |    |    |
+
+### DDEC Charges
+
+We provide DDEC charges computed for all MOFs in the ODAC23 dataset. A small number of MOFs (~2%) are missing these charges because the DDEC calcuations failed for them.
+
+|Size of compressed version (in bytes)    |Size of uncompressed version (in bytes)    | MD5 checksum (download link)    |
+|---    |---    |---    |
+|  147M | 534M |  [81927b78d9e4184cc3c398e79760126a](https://dl.fbaipublicfiles.com/dac/datasets/ddec.tar.gz )  |
+|    |    |    |
+
+
+### Citing ODAC23
+
+The OpenDAC 2023 (ODAC23) dataset is licensed under a [Creative Commons Attribution 4.0 License](https://creativecommons.org/licenses/by/4.0/legalcode).
+
+Please consider citing the following paper in any research manuscript using the ODAC23 dataset:
+
+
+```bibtex
+@article{odac23_dataset,
+    author = {Anuroop Sriram and Sihoon Choi and Xiaohan Yu and Logan M. Brabson and Abhishek Das and Zachary Ulissi and Matt Uyttendaele and Andrew J. Medford and David S. Sholl},
+    title = {The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture},
+    year = {2023},
+    journal={arXiv preprint arXiv:2311.00341},
+}
+```
diff --git a/api.html b/api.html
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-<li class="toctree-l1"><a class="reference internal" href="tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
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+<li class="toctree-l1"><a class="reference internal" href="tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
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-    <h1>Per-adsorbate trajectories</h1>
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-  <section class="tex2jax_ignore mathjax_ignore" id="per-adsorbate-trajectories">
-<h1>Per-adsorbate trajectories<a class="headerlink" href="#per-adsorbate-trajectories" title="Link to this heading">#</a></h1>
-<p>Download links are in the table below:</p>
-<table class="table">
-<thead>
-<tr class="row-odd"><th class="head"><p>Adsorbate symbol</p></th>
-<th class="head"><p>Downloadable path</p></th>
-<th class="head"><p>size</p></th>
-<th class="head"><p>MD5 checksum</p></th>
-</tr>
-</thead>
-<tbody>
-<tr class="row-even"><td><p>*O</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/0.tar</p></td>
-<td><p>1006M</p></td>
-<td><p>d4151542856b4b6405f276808f75358a</p></td>
-</tr>
-<tr class="row-odd"><td><p>*H</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/1.tar</p></td>
-<td><p>850M</p></td>
-<td><p>3697f04faf04251a23da8b88a78209f7</p></td>
-</tr>
-<tr class="row-even"><td><p>*OH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/2.tar</p></td>
-<td><p>1.6G</p></td>
-<td><p>a21081f3f55eb0c98a91021bbe3dac44</p></td>
-</tr>
-<tr class="row-odd"><td><p>*OH2</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/3.tar</p></td>
-<td><p>1.8G</p></td>
-<td><p>b12b706854f5d899e02a9ae6578b5d45</p></td>
-</tr>
-<tr class="row-even"><td><p>*C</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/4.tar</p></td>
-<td><p>1.1G</p></td>
-<td><p>e4fe9890764fcf59e01e3ceab089b978</p></td>
-</tr>
-<tr class="row-odd"><td><p>*CH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/6.tar</p></td>
-<td><p>1.4G</p></td>
-<td><p>ec9aa2c4c4bd4419359438ba7fbb881d</p></td>
-</tr>
-<tr class="row-even"><td><p>*CHO</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/7.tar</p></td>
-<td><p>1.4G</p></td>
-<td><p>d32200f74ad5c3bfd42e8835f36d57ab</p></td>
-</tr>
-<tr class="row-odd"><td><p>*COH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/8.tar</p></td>
-<td><p>1.6G</p></td>
-<td><p>5418a1b331f6c7689a5405cca4cc8d15</p></td>
-</tr>
-<tr class="row-even"><td><p>*CH2</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/9.tar</p></td>
-<td><p>1.6G</p></td>
-<td><p>8ee1066149c305d7c17c219b369c5a73</p></td>
-</tr>
-<tr class="row-odd"><td><p><em>CH2</em>O</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/10.tar</p></td>
-<td><p>1.7G</p></td>
-<td><p>960c2450814024b66f3c79121179ac60</p></td>
-</tr>
-<tr class="row-even"><td><p>*CHOH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/11.tar</p></td>
-<td><p>1.8G</p></td>
-<td><p>60ac9f965f9589a3389483e3d1e58144</p></td>
-</tr>
-<tr class="row-odd"><td><p>*CH3</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/12.tar</p></td>
-<td><p>1.7G</p></td>
-<td><p>7e123e6f4fb10d6897be3f47721dfd4a</p></td>
-</tr>
-<tr class="row-even"><td><p>*OCH3</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/13.tar</p></td>
-<td><p>1.8G</p></td>
-<td><p>0823047bbbe05fa0e63f9d83ec601487</p></td>
-</tr>
-<tr class="row-odd"><td><p>*CH2OH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/14.tar</p></td>
-<td><p>1.9G</p></td>
-<td><p>9ac71e198d75b1427182cd34abb73e4d</p></td>
-</tr>
-<tr class="row-even"><td><p>*CH4</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/15.tar</p></td>
-<td><p>1.9G</p></td>
-<td><p>a405ce403018bf8afbd4425d5c0b34d5</p></td>
-</tr>
-<tr class="row-odd"><td><p>*OHCH3</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/16.tar</p></td>
-<td><p>2.1G</p></td>
-<td><p>d3c829f1952db6e4f428273ee05f59b1</p></td>
-</tr>
-<tr class="row-even"><td><p><em>C</em>C</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/17.tar</p></td>
-<td><p>1.5G</p></td>
-<td><p>d687a151345305897b9245af4b0f9967</p></td>
-</tr>
-<tr class="row-odd"><td><p>*CCO</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/18.tar</p></td>
-<td><p>1.7G</p></td>
-<td><p>214ca96e620c5ec6e8a6ff8144a22a04</p></td>
-</tr>
-<tr class="row-even"><td><p>*CCH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/19.tar</p></td>
-<td><p>1.6G</p></td>
-<td><p>da2268545e80ca1664026449dd2fdd24</p></td>
-</tr>
-<tr class="row-odd"><td><p>*CHCO</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/20.tar</p></td>
-<td><p>1.7G</p></td>
-<td><p>386c99407fe63080d26cda525dfdd8cd</p></td>
-</tr>
-<tr class="row-even"><td><p>*CCHO</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/21.tar</p></td>
-<td><p>1.8G</p></td>
-<td><p>918b20960438494ab160a9dbd9668157</p></td>
-</tr>
-<tr class="row-odd"><td><p>*COCHO</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/22.tar</p></td>
-<td><p>1.8G</p></td>
-<td><p>84424aa2ad30301e23ece1438ea39923</p></td>
-</tr>
-<tr class="row-even"><td><p>*CCHOH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/23.tar</p></td>
-<td><p>2.0G</p></td>
-<td><p>3cc90425ec042a70085ba7eb2916a79a</p></td>
-</tr>
-<tr class="row-odd"><td><p>*CCH2</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/24.tar</p></td>
-<td><p>1.8G</p></td>
-<td><p>9dbcf7566e40965dd7f8a186a75a718e</p></td>
-</tr>
-<tr class="row-even"><td><p><em>CH</em>CH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/25.tar</p></td>
-<td><p>1.7G</p></td>
-<td><p>a193b4c72f915ba0b21a41790696b23c</p></td>
-</tr>
-<tr class="row-odd"><td><p>CH2*CO</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/26.tar</p></td>
-<td><p>1.8G</p></td>
-<td><p>de83cf50247f5556fa4f9f64beff1eeb</p></td>
-</tr>
-<tr class="row-even"><td><p>*CHCHO</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/27.tar</p></td>
-<td><p>1.9G</p></td>
-<td><p>1d140aaa2e7b287124ab38911a711d70</p></td>
-</tr>
-<tr class="row-odd"><td><p><em>CH</em>COH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/28.tar</p></td>
-<td><p>1.3G</p></td>
-<td><p>682d8a6b05ca5948b34dc5e5f6bbcd61</p></td>
-</tr>
-<tr class="row-even"><td><p>*COCH2O</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/29.tar</p></td>
-<td><p>1.9G</p></td>
-<td><p>c8742faa8ca40e8edb4110069817fa70</p></td>
-</tr>
-<tr class="row-odd"><td><p><em>CHO</em>CHO</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/30.tar</p></td>
-<td><p>2.0G</p></td>
-<td><p>8cfbb67beb312b98c40fcb891dfa480a</p></td>
-</tr>
-<tr class="row-even"><td><p>*COHCHO</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/31.tar</p></td>
-<td><p>1.9G</p></td>
-<td><p>6ffa903a62d8ec3319ecec6a03b06276</p></td>
-</tr>
-<tr class="row-odd"><td><p>*COHCOH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/32.tar</p></td>
-<td><p>2.0G</p></td>
-<td><p>caca0058b641bfdc9f8de4527e60feb7</p></td>
-</tr>
-<tr class="row-even"><td><p>*CCH3</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/33.tar</p></td>
-<td><p>1.8G</p></td>
-<td><p>906543aaefc171edab388ff4f0fe8a20</p></td>
-</tr>
-<tr class="row-odd"><td><p>*CHCH2</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/34.tar</p></td>
-<td><p>1.8G</p></td>
-<td><p>4dfab479495f76179749c1956046fbd8</p></td>
-</tr>
-<tr class="row-even"><td><p>*COCH3</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/35.tar</p></td>
-<td><p>1.9G</p></td>
-<td><p>29d1b992715054e920e8bb2afe97b393</p></td>
-</tr>
-<tr class="row-odd"><td><p>*CHCHOH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/38.tar</p></td>
-<td><p>2.0G</p></td>
-<td><p>9e5912df6f7b11706d1046cdb9e3087e</p></td>
-</tr>
-<tr class="row-even"><td><p>*CCH2OH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/39.tar</p></td>
-<td><p>2.1G</p></td>
-<td><p>7bcae43cee451306e34ec416588a7f09</p></td>
-</tr>
-<tr class="row-odd"><td><p>*CHOCHOH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/40.tar</p></td>
-<td><p>2.0G</p></td>
-<td><p>f98866d08fe3451ae7ebc47bb51599aa</p></td>
-</tr>
-<tr class="row-even"><td><p>*COCH2OH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/41.tar</p></td>
-<td><p>1.4G</p></td>
-<td><p>bfaf689e5827fcf26c51e567bb8dd1be</p></td>
-</tr>
-<tr class="row-odd"><td><p>*COHCHOH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/42.tar</p></td>
-<td><p>2.0G</p></td>
-<td><p>236fe4e950aa2fbdde94ef2821fb48d2</p></td>
-</tr>
-<tr class="row-even"><td><p>*OCHCH3</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/44.tar</p></td>
-<td><p>2.1G</p></td>
-<td><p>66acc5460a999625c3364f0f3bcca871</p></td>
-</tr>
-<tr class="row-odd"><td><p>*COHCH3</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/45.tar</p></td>
-<td><p>2.1G</p></td>
-<td><p>bb4a01956736399c8cee5e219f8c1229</p></td>
-</tr>
-<tr class="row-even"><td><p>*CHOHCH2</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/46.tar</p></td>
-<td><p>2.1G</p></td>
-<td><p>e836de4ec146b1b611533f1ef682cace</p></td>
-</tr>
-<tr class="row-odd"><td><p>*CHCH2OH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/47.tar</p></td>
-<td><p>2.0G</p></td>
-<td><p>66df44121806debef6dc038df7115d1d</p></td>
-</tr>
-<tr class="row-even"><td><p>*OCH2CHOH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/48.tar</p></td>
-<td><p>2.2G</p></td>
-<td><p>ff6981fdbcd2e65d351505c15d218d76</p></td>
-</tr>
-<tr class="row-odd"><td><p>*CHOCH2OH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/49.tar</p></td>
-<td><p>2.1G</p></td>
-<td><p>448f7d352ab6e32f754e24de64ca302a</p></td>
-</tr>
-<tr class="row-even"><td><p>*COHCH2OH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/50.tar</p></td>
-<td><p>2.1G</p></td>
-<td><p>8bff6bf3e10cc84acc4a283a375fcc23</p></td>
-</tr>
-<tr class="row-odd"><td><p>*CHOHCHOH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/51.tar</p></td>
-<td><p>2.0G</p></td>
-<td><p>9c9e4d617d306751760a80f1453e71f1</p></td>
-</tr>
-<tr class="row-even"><td><p>*CH2CH3</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/52.tar</p></td>
-<td><p>2.0G</p></td>
-<td><p>ec1e964d2ee6f468fa5773743e3994a4</p></td>
-</tr>
-<tr class="row-odd"><td><p>*OCH2CH3</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/53.tar</p></td>
-<td><p>2.1G</p></td>
-<td><p>d297b27b02822f9b6af80bdb64aee819</p></td>
-</tr>
-<tr class="row-even"><td><p>*CHOHCH3</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/54.tar</p></td>
-<td><p>2.1G</p></td>
-<td><p>368de083dafdc3bbdb560d35e2a102c0</p></td>
-</tr>
-<tr class="row-odd"><td><p>*CH2CH2OH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/55.tar</p></td>
-<td><p>2.1G</p></td>
-<td><p>3c1aaf790659f7ff89bf1eed8b396b63</p></td>
-</tr>
-<tr class="row-even"><td><p>*CHOHCH2OH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/56.tar</p></td>
-<td><p>2.2G</p></td>
-<td><p>2d71adb9e305e6f3bca49e5df9b5a86a</p></td>
-</tr>
-<tr class="row-odd"><td><p>*OHCH2CH3</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/57.tar</p></td>
-<td><p>2.3G</p></td>
-<td><p>cf51128f8522b7b66fc68d79980d6def</p></td>
-</tr>
-<tr class="row-even"><td><p>*NH2N(CH3)2</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/58.tar</p></td>
-<td><p>1.6G</p></td>
-<td><p>36ba974d80c20ff636431f7c0ad225da</p></td>
-</tr>
-<tr class="row-odd"><td><p>*ONN(CH3)2</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/59.tar</p></td>
-<td><p>2.3G</p></td>
-<td><p>fdc4cd19977496909d61be4aee61c4f1</p></td>
-</tr>
-<tr class="row-even"><td><p>*OHNNCH3</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/60.tar</p></td>
-<td><p>2.1G</p></td>
-<td><p>50a6ff098f9ba7adbba9ac115726cc5a</p></td>
-</tr>
-<tr class="row-odd"><td><p>*ONH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/62.tar</p></td>
-<td><p>1.8G</p></td>
-<td><p>47573199c545afe46c554ff756c3e38f</p></td>
-</tr>
-<tr class="row-even"><td><p>*NHNH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/63.tar</p></td>
-<td><p>1.7G</p></td>
-<td><p>dd456b7e19ef592d9f0308d911b91d7c</p></td>
-</tr>
-<tr class="row-odd"><td><p><em>N</em>NH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/65.tar</p></td>
-<td><p>1.6G</p></td>
-<td><p>c05289fd56d64c74306ebf57f1061318</p></td>
-</tr>
-<tr class="row-even"><td><p>*NO2NO2</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/67.tar</p></td>
-<td><p>2.1G</p></td>
-<td><p>4822a06f6c5f41bdefd3cbbd8856c11f</p></td>
-</tr>
-<tr class="row-odd"><td><p><em>N</em>NO</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/68.tar</p></td>
-<td><p>1.6G</p></td>
-<td><p>2a27de122d32917cc5b6ac0a21c63c1c</p></td>
-</tr>
-<tr class="row-even"><td><p>*N2</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/69.tar</p></td>
-<td><p>1.5G</p></td>
-<td><p>cc668fecf679b6edaac8fd8fb9cdd404</p></td>
-</tr>
-<tr class="row-odd"><td><p>*ONNH2</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/70.tar</p></td>
-<td><p>2.1G</p></td>
-<td><p>dff880f1a5baa7f67b52fd3ed745443d</p></td>
-</tr>
-<tr class="row-even"><td><p>*NH2</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/71.tar</p></td>
-<td><p>1.6G</p></td>
-<td><p>c7f383b50faa6244e265c9611466cb8f</p></td>
-</tr>
-<tr class="row-odd"><td><p>*NH3</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/72.tar</p></td>
-<td><p>1.9G</p></td>
-<td><p>2b355741f9300445703270e0e4b8c01c</p></td>
-</tr>
-<tr class="row-even"><td><p>*NONH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/73.tar</p></td>
-<td><p>1.8G</p></td>
-<td><p>48877a0c6f2994baac82cb722711aaa2</p></td>
-</tr>
-<tr class="row-odd"><td><p>*NH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/74.tar</p></td>
-<td><p>1.4G</p></td>
-<td><p>7979b9e7ab557d6979b33e352486f0ef</p></td>
-</tr>
-<tr class="row-even"><td><p>*NO2</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/75.tar</p></td>
-<td><p>1.7G</p></td>
-<td><p>9f352fbc32bb2b8caf4788aba28b2eb7</p></td>
-</tr>
-<tr class="row-odd"><td><p>*NO</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/76.tar</p></td>
-<td><p>1.4G</p></td>
-<td><p>482ee306a5ae2eee78cac40d10059ebc</p></td>
-</tr>
-<tr class="row-even"><td><p>*N</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/77.tar</p></td>
-<td><p>1.1G</p></td>
-<td><p>bfb6e03d4a687987ff68976f0793cc46</p></td>
-</tr>
-<tr class="row-odd"><td><p>*NO3</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/78.tar</p></td>
-<td><p>1.8G</p></td>
-<td><p>700834326e789a6e38bf3922d9fcb792</p></td>
-</tr>
-<tr class="row-even"><td><p>*OHNH2</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/79.tar</p></td>
-<td><p>2.1G</p></td>
-<td><p>fa24472e0c02c34d91f3ffe6b77bfb11</p></td>
-</tr>
-<tr class="row-odd"><td><p>*ONOH</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/80.tar</p></td>
-<td><p>1.4G</p></td>
-<td><p>4ddcccd62a834a76fe6167461f512529</p></td>
-</tr>
-<tr class="row-even"><td><p>*CN</p></td>
-<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/81.tar</p></td>
-<td><p>1.5G</p></td>
-<td><p>bc7c55330ece006d09496a5ff01d5d50</p></td>
-</tr>
-</tbody>
-</table>
-<p>Note - A few adsorbates are intentionally left out for the test splits.</p>
-<p>Downloading any of the above and extracting will result in a folder:</p>
-<p><code class="docutils literal notranslate"><span class="pre">&lt;index&gt;/</span></code></p>
-<ul class="simple">
-<li><p><code class="docutils literal notranslate"><span class="pre">system.txt</span></code> Text file containing information about the different adsorbate+catalyst system names. In total there are N systems. More details described below.</p></li>
-<li><p><code class="docutils literal notranslate"><span class="pre">&lt;index&gt;/</span></code></p>
-<ul>
-<li><p>This contains N compressed trajectory files of the format <code class="docutils literal notranslate"><span class="pre">.extxyz.xz</span></code>.</p></li>
-<li><p>Files are named as  <code class="docutils literal notranslate"><span class="pre">&lt;system_id&gt;.extxyz.xz</span></code> (where <code class="docutils literal notranslate"><span class="pre">system_id</span></code> is defined below).</p></li>
-</ul>
-</li>
-</ul>
-<p>where, <code class="docutils literal notranslate"><span class="pre">&lt;index&gt;</span></code> can be 0 to 81. N is dependent on which adsorbate index is chosen.</p>
-<p>The file  <code class="docutils literal notranslate"><span class="pre">system.txt</span></code>  has information in the following format:
-<code class="docutils literal notranslate"><span class="pre">system_id,reference_energy</span></code></p>
-<p>where:</p>
-<ul class="simple">
-<li><p><code class="docutils literal notranslate"><span class="pre">system_id</span> </code>- Internal random ID corresponding to an adsorbate+catalyst system.</p></li>
-<li><p><code class="docutils literal notranslate"><span class="pre">reference_energy</span></code> - Energy used to reference system energies to bare catalyst+gas reference energies. Used for adsorption energy calculations.</p></li>
-</ul>
-<p>The <code class="docutils literal notranslate"><span class="pre">.extxyz.xz</span></code> files are LZMA compressed <code class="docutils literal notranslate"><span class="pre">.extxyz</span></code> trajectory files. Each trajectory corresponds to a relaxation trajectory of a different adsorbate+catalyst system. Information about the <code class="docutils literal notranslate"><span class="pre">.extxyz</span></code> trajectory file format may be found at https://wiki.fysik.dtu.dk/ase/ase/io/formatoptions.html#extxyz.</p>
-<p>In order to uncompress the files, <code class="docutils literal notranslate"><span class="pre">uncompress.py</span></code> provides a multi-core implementation which could be used.</p>
-</section>
-
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diff --git a/core/FAQ.html b/core/FAQ.html
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+++ b/core/FAQ.html
@@ -60,8 +60,8 @@
     <script>DOCUMENTATION_OPTIONS.pagename = 'core/FAQ';</script>
     <link rel="index" title="Index" href="../genindex.html" />
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-    <link rel="next" title="Installation" href="INSTALL.html" />
-    <link rel="prev" title="Open Catalyst datasets" href="DATASET.html" />
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@@ -176,43 +176,52 @@
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
-<ul class="current nav bd-sidenav">
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-<li class="toctree-l1 current active"><a class="current reference internal" href="#">Frequently Asked Questions</a></li>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
+<ul class="nav bd-sidenav">
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-<li class="toctree-l1"><a class="reference internal" href="LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
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 <li class="toctree-l1"><a class="reference internal" href="MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="current nav bd-sidenav">
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-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1 current active"><a class="current reference internal" href="#">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
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@@ -638,20 +647,20 @@ <h3>I’m trying to run GemNet-OC on my data, but it errors out on <code class="
                   
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diff --git a/core/INSTALL.html b/core/INSTALL.html
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@@ -60,8 +60,8 @@
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@@ -176,43 +176,52 @@
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
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-<li class="toctree-l1"><a class="reference internal" href="LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
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+<li class="toctree-l1"><a class="reference internal" href="LICENSE.html">License</a></li>
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+<ul class="nav bd-sidenav">
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-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
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-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
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@@ -581,20 +590,20 @@ <h2>CPU-only machines<a class="headerlink" href="#cpu-only-machines" title="Link
                   
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        title="previous page">
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title">Frequently Asked Questions</p>
+        <p class="prev-next-title"><code class="docutils literal notranslate"><span class="pre">ocp</span></code> by Open Catalyst Project</p>
       </div>
     </a>
     <a class="right-next"
-       href="LICENSE.html"
+       href="datasets/oc20.html"
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title">License</p>
+        <p class="prev-next-title">Open Catalyst 2020 (OC20)</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
diff --git a/core/LICENSE.html b/core/LICENSE.html
index c3a57b5de..bf09bbb76 100644
--- a/core/LICENSE.html
+++ b/core/LICENSE.html
@@ -60,8 +60,8 @@
     <script>DOCUMENTATION_OPTIONS.pagename = 'core/LICENSE';</script>
     <link rel="index" title="Index" href="../genindex.html" />
     <link rel="search" title="Search" href="../search.html" />
-    <link rel="next" title="Pretrained OCP models" href="MODELS.html" />
-    <link rel="prev" title="Installation" href="INSTALL.html" />
+    <link rel="next" title="Training and evaluating models on OCP datasets" href="TRAIN.html" />
+    <link rel="prev" title="Pretrained OCP models" href="MODELS.html" />
   <meta name="viewport" content="width=device-width, initial-scale=1"/>
   <meta name="docsearch:language" content="en"/>
   </head>
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
-<ul class="current nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="FAQ.html">Frequently Asked Questions</a></li>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="INSTALL.html">Installation</a></li>
-<li class="toctree-l1 current active"><a class="current reference internal" href="#">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="current nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1 current active"><a class="current reference internal" href="#">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
@@ -532,20 +541,20 @@ <h1>License<a class="headerlink" href="#license" title="Link to this heading">#<
                   
 <div class="prev-next-area">
     <a class="left-prev"
-       href="INSTALL.html"
+       href="MODELS.html"
        title="previous page">
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title">Installation</p>
+        <p class="prev-next-title">Pretrained OCP models</p>
       </div>
     </a>
     <a class="right-next"
-       href="MODELS.html"
+       href="TRAIN.html"
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title">Pretrained OCP models</p>
+        <p class="prev-next-title">Training and evaluating models on OCP datasets</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
diff --git a/core/MODELS.html b/core/MODELS.html
index fde0ecc5f..14cf276ed 100644
--- a/core/MODELS.html
+++ b/core/MODELS.html
@@ -62,8 +62,8 @@
     <script>DOCUMENTATION_OPTIONS.pagename = 'core/MODELS';</script>
     <link rel="index" title="Index" href="../genindex.html" />
     <link rel="search" title="Search" href="../search.html" />
-    <link rel="next" title="Training and evaluating models on OCP datasets" href="TRAIN.html" />
-    <link rel="prev" title="License" href="LICENSE.html" />
+    <link rel="next" title="License" href="LICENSE.html" />
+    <link rel="prev" title="Open Direct Air Capture 2023 (ODAC23)" href="datasets/odac.html" />
   <meta name="viewport" content="width=device-width, initial-scale=1"/>
   <meta name="docsearch:language" content="en"/>
   </head>
@@ -178,43 +178,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
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-<li class="toctree-l1"><a class="reference internal" href="DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="FAQ.html">Frequently Asked Questions</a></li>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="current nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1 current active"><a class="current reference internal" href="#">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
@@ -1072,20 +1081,20 @@ <h2>IS2RS<a class="headerlink" href="#is2rs" title="Link to this heading">#</a><
                   
 <div class="prev-next-area">
     <a class="left-prev"
-       href="LICENSE.html"
+       href="datasets/odac.html"
        title="previous page">
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title">License</p>
+        <p class="prev-next-title">Open Direct Air Capture 2023 (ODAC23)</p>
       </div>
     </a>
     <a class="right-next"
-       href="TRAIN.html"
+       href="LICENSE.html"
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title">Training and evaluating models on OCP datasets</p>
+        <p class="prev-next-title">License</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
diff --git a/core/README.html b/core/README.html
index 31eeb86c1..c4637c8df 100644
--- a/core/README.html
+++ b/core/README.html
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     <link rel="index" title="Index" href="../genindex.html" />
     <link rel="search" title="Search" href="../search.html" />
-    <link rel="next" title="Open Catalyst datasets" href="DATASET.html" />
+    <link rel="next" title="Installation" href="INSTALL.html" />
   <meta name="viewport" content="width=device-width, initial-scale=1"/>
   <meta name="docsearch:language" content="en"/>
   </head>
@@ -177,43 +177,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
@@ -601,6 +610,10 @@ <h2>Citing <code class="docutils literal notranslate"><span class="pre">ocp</spa
 </div>
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+<div class="toctree-wrapper compound">
+</div>
+<div class="toctree-wrapper compound">
+</div>
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     <script type="text/x-thebe-config">
@@ -634,11 +647,11 @@ <h2>Citing <code class="docutils literal notranslate"><span class="pre">ocp</spa
                   
 <div class="prev-next-area">
     <a class="right-next"
-       href="DATASET.html"
+       href="INSTALL.html"
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title">Open Catalyst datasets</p>
+        <p class="prev-next-title">Installation</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
diff --git a/core/TRAIN.html b/core/TRAIN.html
index 8a0319705..691f0772d 100644
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+++ b/core/TRAIN.html
@@ -60,8 +60,8 @@
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     <link rel="search" title="Search" href="../search.html" />
-    <link rel="next" title="Utilizing large, graph-based, pre-trained machine learned potentials in atomistic simulations" href="../tutorial/intro.html" />
-    <link rel="prev" title="Pretrained OCP models" href="MODELS.html" />
+    <link rel="next" title="Frequently Asked Questions" href="FAQ.html" />
+    <link rel="prev" title="License" href="LICENSE.html" />
   <meta name="viewport" content="width=device-width, initial-scale=1"/>
   <meta name="docsearch:language" content="en"/>
   </head>
@@ -176,43 +176,52 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
-<ul class="current nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="FAQ.html">Frequently Asked Questions</a></li>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="current nav bd-sidenav">
 <li class="toctree-l1 current active"><a class="current reference internal" href="#">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../tutorial/advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
@@ -1045,20 +1054,20 @@ <h3>Multi-structure Files<a class="headerlink" href="#multi-structure-files" tit
                   
 <div class="prev-next-area">
     <a class="left-prev"
-       href="MODELS.html"
+       href="LICENSE.html"
        title="previous page">
       <i class="fa-solid fa-angle-left"></i>
       <div class="prev-next-info">
         <p class="prev-next-subtitle">previous</p>
-        <p class="prev-next-title">Pretrained OCP models</p>
+        <p class="prev-next-title">License</p>
       </div>
     </a>
     <a class="right-next"
-       href="../tutorial/intro.html"
+       href="FAQ.html"
        title="next page">
       <div class="prev-next-info">
         <p class="prev-next-subtitle">next</p>
-        <p class="prev-next-title">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</p>
+        <p class="prev-next-title">Frequently Asked Questions</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
diff --git a/core/DATASET.html b/core/datasets/oc20.html
similarity index 53%
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--- a/core/DATASET.html
+++ b/core/datasets/oc20.html
@@ -2,13 +2,13 @@
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-<html lang="en" data-content_root="../" >
+<html lang="en" data-content_root="../../" >
 
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-    <title>Open Catalyst datasets &#8212; Open Catalyst Project Documentation</title>
+    <title>Open Catalyst 2020 (OC20) &#8212; Open Catalyst Project Documentation</title>
   
   
   
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+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
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-<li class="toctree-l1"><a class="reference internal" href="../tutorial/gotchas.html">Common gotchas with OCP</a></li>
+
+
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../../tutorial/intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../../tutorial/OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../../tutorial/fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
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+<li class="toctree-l2"><a class="reference internal" href="../../tutorial/advanced/embedding-monkeypatch.html">Embedding monkeypatching</a></li>
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-<li class="toctree-l2"><a class="reference internal" href="../tutorial/advanced/mass-inference.html">Mass inference</a></li>
+
+<li class="toctree-l2"><a class="reference internal" href="../../tutorial/advanced/mass-inference.html">Mass inference</a></li>
 
 
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-<li class="toctree-l2"><a class="reference internal" href="../tutorial/NRR/NRR_example-gemnet.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
+<li class="toctree-l2"><a class="reference internal" href="../../tutorial/NRR/NRR_example-gemnet.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
 
 
 
@@ -251,32 +260,32 @@
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-<li class="toctree-l4"><a class="reference internal" href="../_autosummary/ocpmodels.modules.normalizer.html">ocpmodels.modules.normalizer</a></li>
-<li class="toctree-l4"><a class="reference internal" href="../_autosummary/ocpmodels.modules.scaling.html">ocpmodels.modules.scaling</a></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../_autosummary/ocpmodels.modules.html">ocpmodels.modules</a><input class="toctree-checkbox" id="toctree-checkbox-7" name="toctree-checkbox-7" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-7"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../_autosummary/ocpmodels.modules.evaluator.html">ocpmodels.modules.evaluator</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../_autosummary/ocpmodels.modules.exponential_moving_average.html">ocpmodels.modules.exponential_moving_average</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../_autosummary/ocpmodels.modules.loss.html">ocpmodels.modules.loss</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../_autosummary/ocpmodels.modules.normalizer.html">ocpmodels.modules.normalizer</a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../_autosummary/ocpmodels.modules.scaling.html">ocpmodels.modules.scaling</a></li>
 </ul>
 </li>
 </ul>
@@ -354,7 +363,7 @@
       
       
       
-      <li><a href="https://github.com/Open-Catalyst-Project/ocp/issues/new?title=Issue%20on%20page%20%2Fcore/DATASET.html&body=Your%20issue%20content%20here." target="_blank"
+      <li><a href="https://github.com/Open-Catalyst-Project/ocp/issues/new?title=Issue%20on%20page%20%2Fcore/datasets/oc20.html&body=Your%20issue%20content%20here." target="_blank"
    class="btn btn-sm btn-source-issues-button dropdown-item"
    title="Open an issue"
    data-bs-placement="left" data-bs-toggle="tooltip"
@@ -384,7 +393,7 @@
       
       
       
-      <li><a href="../_sources/core/DATASET.md" target="_blank"
+      <li><a href="../../_sources/core/datasets/oc20.md" target="_blank"
    class="btn btn-sm btn-download-source-button dropdown-item"
    title="Download source file"
    data-bs-placement="left" data-bs-toggle="tooltip"
@@ -468,7 +477,7 @@
               
 
 <div id="jb-print-docs-body" class="onlyprint">
-    <h1>Open Catalyst datasets</h1>
+    <h1>Open Catalyst 2020 (OC20)</h1>
     <!-- Table of contents -->
     <div id="print-main-content">
         <div id="jb-print-toc">
@@ -478,59 +487,37 @@ <h2> Contents </h2>
             </div>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
-<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#open-catalyst-2020-oc20">Open Catalyst 2020 (OC20)</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#download-and-preprocess-the-dataset">Download and preprocess the dataset</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#structure-to-energy-and-forces-s2ef-task">Structure to Energy and Forces (S2EF) task</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-energy-is2re-tasks">Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Energy (IS2RE) tasks</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#relaxation-trajectories">Relaxation Trajectories</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbate-catalyst-system-trajectories-optional-download">Adsorbate+catalyst system trajectories (optional download)</a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#per-adsorbate-trajectories-optional-download">Per-adsorbate trajectories (optional download)</a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#catalyst-system-trajectories-optional-download">Catalyst system trajectories (optional download)</a></li>
-</ul>
-</li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#bader-charge-data">Bader charge data</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#oc20-mappings">OC20 mappings</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data-mapping-information">Data mapping information</a></li>
-</ul>
-</li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbate-catalyst-system-to-catalyst-system-mapping-information">Adsorbate-catalyst system to catalyst system mapping information</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#dataset-changelog">Dataset changelog</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#september-2021">September 2021</a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#march-2021">March 2021</a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#version-2-feb-2021">Version 2, Feb 2021</a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#version-1-oct-2020">Version 1, Oct 2020</a></li>
+<li class="toc-h1 nav-item toc-entry"><a class="reference internal nav-link" href="#">Open Catalyst 2020 (OC20)</a><ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#download-and-preprocess-the-dataset">Download and preprocess the dataset</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#structure-to-energy-and-forces-s2ef-task">Structure to Energy and Forces (S2EF) task</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-energy-is2re-tasks">Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Energy (IS2RE) tasks</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#relaxation-trajectories">Relaxation Trajectories</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbate-catalyst-system-trajectories-optional-download">Adsorbate+catalyst system trajectories (optional download)</a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#per-adsorbate-trajectories-optional-download">Per-adsorbate trajectories (optional download)</a></li>
 </ul>
 </li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#citing-oc20">Citing OC20</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#catalyst-system-trajectories-optional-download">Catalyst system trajectories (optional download)</a></li>
 </ul>
 </li>
-<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#open-catalyst-2022-oc22">Open Catalyst 2022 (OC22)</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#structure-to-total-energy-and-forces-s2ef-total-task">Structure to Total Energy and Forces (S2EF-Total) task</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-total-energy-is2re-total-tasks">Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Total Energy (IS2RE-Total) tasks</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#id1">Relaxation Trajectories</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#system-trajectories-optional-download">System trajectories (optional download)</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#bader-charge-data">Bader charge data</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#oc20-mappings">OC20 mappings</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data-mapping-information">Data mapping information</a></li>
 </ul>
 </li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#oc22-mappings">OC22 Mappings</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#id2">Data mapping information</a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#id3"></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#oc20-reference-information">OC20 reference information</a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#id4"></a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbate-catalyst-system-to-catalyst-system-mapping-information">Adsorbate-catalyst system to catalyst system mapping information</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#dataset-changelog">Dataset changelog</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#september-2021">September 2021</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#march-2021">March 2021</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#version-2-feb-2021">Version 2, Feb 2021</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#version-1-oct-2020">Version 1, Oct 2020</a></li>
 </ul>
 </li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#citing-oc22">Citing OC22</a></li>
-</ul>
-</li>
-<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#open-direct-air-capture-2023-odac23">Open Direct Air Capture 2023 (ODAC23)</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#id5">Structure to Energy and Forces (S2EF) task</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#initial-structure-to-relaxed-structure-is2rs-relaxed-energy-is2re-tasks">Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE) tasks</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ddec-charges">DDEC Charges</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#citing-odac23">Citing ODAC23</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#citing-oc20">Citing OC20</a></li>
 </ul>
 </li>
+<li class="toc-h1 nav-item toc-entry"><a class="reference internal nav-link" href="#per-adsorbate-trajectories">Per-adsorbate trajectories</a></li>
 </ul>
+
             </nav>
         </div>
     </div>
@@ -541,43 +528,11 @@ <h2> Contents </h2>
 <div id="searchbox"></div>
                 <article class="bd-article">
                   
-  <section class="tex2jax_ignore mathjax_ignore" id="open-catalyst-datasets">
-<h1>Open Catalyst datasets<a class="headerlink" href="#open-catalyst-datasets" title="Link to this heading">#</a></h1>
-<ul class="simple">
-<li><p><a class="reference internal" href="#open-catalyst-2020-oc20"><span class="xref myst">Open Catalyst 2020 (OC20)</span></a></p>
-<ul>
-<li><p><a class="reference internal" href="#download-and-preprocess-the-dataset"><span class="xref myst">Scripts to download and preprocess the data</span></a></p></li>
-<li><p><a class="reference internal" href="#structure-to-energy-and-forces-s2ef-task"><span class="xref myst">Structure to Energy and Forces (S2EF)</span></a></p></li>
-<li><p><a class="reference internal" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-energy-is2re-tasks"><span class="xref myst">Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE)</span></a></p></li>
-<li><p><a class="reference internal" href="#relaxation-trajectories"><span class="xref myst">Relaxation Trajectories</span></a></p></li>
-<li><p><a class="reference internal" href="#bader-charge-data"><span class="xref myst">Bader charge data</span></a></p></li>
-<li><p><a class="reference internal" href="#oc20-mappings"><span class="xref myst">OC20 metadata</span></a></p></li>
-<li><p><a class="reference internal" href="#dataset-changelog"><span class="xref myst">Changelog</span></a></p></li>
-<li><p><a class="reference internal" href="#citing-oc20"><span class="xref myst">License and bibtex</span></a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#open-catalyst-2022-oc22"><span class="xref myst">Open Catalyst 2022 (OC22)</span></a></p>
-<ul>
-<li><p><a class="reference internal" href="#structure-to-total-energy-and-forces-s2ef-total-task"><span class="xref myst">Structure to Total Energy and Forces (S2EF-total)</span></a></p></li>
-<li><p><a class="reference internal" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-total-energy-is2re-total-tasks"><span class="xref myst">Initial Structure to Relaxed Structure (IS2RS) / Relaxed Total Energy (IS2RE-total)</span></a></p></li>
-<li><p><a class="reference internal" href="#relaxation-trajectories-1"><span class="xref myst">Relaxation Trajectories</span></a></p></li>
-<li><p><a class="reference internal" href="#oc22-mappings"><span class="xref myst">OC22 metadata</span></a></p></li>
-<li><p><a class="reference internal" href="#citing-oc22"><span class="xref myst">License and bibtex</span></a></p></li>
-</ul>
-</li>
-<li><p><a class="reference internal" href="#open-direct-air-capture-2023-odac23"><span class="xref myst">Open Direct Air Capture 2023 (ODAC23)</span></a></p>
-<ul>
-<li><p><a class="reference internal" href="#structure-to-energy-and-forces-s2ef-task"><span class="xref myst">Structure to Energy and Forces (S2EF) task</span></a></p></li>
-<li><p><a class="reference internal" href="#initial-structure-to-relaxed-structure-is2rs--relaxed-energy-is2re-tasks"><span class="xref myst">Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE) tasks</span></a></p></li>
-</ul>
-</li>
-</ul>
-<hr class="docutils" />
-<section id="open-catalyst-2020-oc20">
-<h2>Open Catalyst 2020 (OC20)<a class="headerlink" href="#open-catalyst-2020-oc20" title="Link to this heading">#</a></h2>
+  <section id="open-catalyst-2020-oc20">
+<h1>Open Catalyst 2020 (OC20)<a class="headerlink" href="#open-catalyst-2020-oc20" title="Link to this heading">#</a></h1>
 <p><em>NOTE: Data files for all tasks / splits were updated on Feb 10, 2021 due to minor bugs (affecting &lt; 1% of the data) in earlier versions. If you downloaded data before Feb 10, 2021, please re-download the data.</em></p>
 <section id="download-and-preprocess-the-dataset">
-<h3>Download and preprocess the dataset<a class="headerlink" href="#download-and-preprocess-the-dataset" title="Link to this heading">#</a></h3>
+<h2>Download and preprocess the dataset<a class="headerlink" href="#download-and-preprocess-the-dataset" title="Link to this heading">#</a></h2>
 <p>IS2* datasets are stored as LMDB files and are ready to be used upon download.
 S2EF train+val datasets require an additional preprocessing step.</p>
 <p>For convenience, a self-contained script can be found <a class="reference external" href="https://github.com/Open-Catalyst-Project/ocp/blob/main/scripts/download_data.py">here</a> to download, preprocess, and organize the data directories to be readily usable by the existing <a class="reference external" href="https://github.com/Open-Catalyst-Project/ocp/tree/main/configs">configs</a>.</p>
@@ -608,7 +563,7 @@ <h3>Download and preprocess the dataset<a class="headerlink" href="#download-and
 download and preprocess the data, you are good to go and can stop reading here!</p>
 </section>
 <section id="structure-to-energy-and-forces-s2ef-task">
-<h3>Structure to Energy and Forces (S2EF) task<a class="headerlink" href="#structure-to-energy-and-forces-s2ef-task" title="Link to this heading">#</a></h3>
+<h2>Structure to Energy and Forces (S2EF) task<a class="headerlink" href="#structure-to-energy-and-forces-s2ef-task" title="Link to this heading">#</a></h2>
 <p>For this task’s train and validation sets, we provide compressed trajectory files with the input structures and output energies and forces.  We provide precomputed LMDBs for the test sets. To use the train and validation datasets, first download the files and uncompress them. The uncompressed files are used to generate LMDBs, which are in turn used by the dataloaders to train the ML models. Code for the dataloaders and generating the LMDBs may be found in the Github repository.</p>
 <p>Four training datasets are provided with different sizes. Each is a subset of the other, i.e., the 2M dataset is contained in the 20M and all datasets.</p>
 <p>Four datasets are provided for validation set. Each dataset corresponds to a subsplit used to evaluate different types of extrapolation, in domain (id, same distribution as the training dataset), out of domain adsorbate (ood_ads, unseen adsorbate), out of domain catalyst (ood_cat, unseen catalyst composition), and out of domain both (ood_both, unseen adsorbate and catalyst composition).</p>
@@ -717,7 +672,7 @@ <h3>Structure to Energy and Forces (S2EF) task<a class="headerlink" href="#struc
 </table>
 </section>
 <section id="initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-energy-is2re-tasks">
-<h3>Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Energy (IS2RE) tasks<a class="headerlink" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-energy-is2re-tasks" title="Link to this heading">#</a></h3>
+<h2>Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Energy (IS2RE) tasks<a class="headerlink" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-energy-is2re-tasks" title="Link to this heading">#</a></h2>
 <p>For the IS2RS and IS2RE tasks, we are providing:</p>
 <ul class="simple">
 <li><p>One <code class="docutils literal notranslate"><span class="pre">.tar.gz</span></code> file with precomputed LMDBs which once downloaded and uncompressed, can be used directly to train ML models. The LMDBs contain the input initial structures and the output relaxed structures and energies. Training datasets are split by size, with each being a subset of the larger splits, similar to S2EF. The validation and test datasets are broken into subsplits based on different extrapolation evaluations (In Domain, OOD Adsorbate, OOD Catalyst, OOD Both).</p></li>
@@ -752,9 +707,9 @@ <h3>Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Rela
 </table>
 </section>
 <section id="relaxation-trajectories">
-<h3>Relaxation Trajectories<a class="headerlink" href="#relaxation-trajectories" title="Link to this heading">#</a></h3>
+<h2>Relaxation Trajectories<a class="headerlink" href="#relaxation-trajectories" title="Link to this heading">#</a></h2>
 <section id="adsorbate-catalyst-system-trajectories-optional-download">
-<h4>Adsorbate+catalyst system trajectories (optional download)<a class="headerlink" href="#adsorbate-catalyst-system-trajectories-optional-download" title="Link to this heading">#</a></h4>
+<h3>Adsorbate+catalyst system trajectories (optional download)<a class="headerlink" href="#adsorbate-catalyst-system-trajectories-optional-download" title="Link to this heading">#</a></h3>
 <table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Split</p></th>
@@ -802,12 +757,12 @@ <h4>Adsorbate+catalyst system trajectories (optional download)<a class="headerli
 </tbody>
 </table>
 <section id="per-adsorbate-trajectories-optional-download">
-<h5>Per-adsorbate trajectories (optional download)<a class="headerlink" href="#per-adsorbate-trajectories-optional-download" title="Link to this heading">#</a></h5>
-<p>Adsorbate+catalyst trajectories on a per adsorbate basis are provided <a class="reference internal" href="DATASET_PER_ADSORBATE.html"><span class="std std-doc">here</span></a> to avoid having to download all systems. Note - a few adsorbates are intentionally left out for the test splits.</p>
+<h4>Per-adsorbate trajectories (optional download)<a class="headerlink" href="#per-adsorbate-trajectories-optional-download" title="Link to this heading">#</a></h4>
+<p>Adsorbate+catalyst trajectories on a per adsorbate basis are provided <a class="reference internal" href="#./DATASET_PER_ADSORBATE.md"><span class="xref myst">here</span></a> to avoid having to download all systems. Note - a few adsorbates are intentionally left out for the test splits.</p>
 </section>
 </section>
 <section id="catalyst-system-trajectories-optional-download">
-<h4>Catalyst system trajectories (optional download)<a class="headerlink" href="#catalyst-system-trajectories-optional-download" title="Link to this heading">#</a></h4>
+<h3>Catalyst system trajectories (optional download)<a class="headerlink" href="#catalyst-system-trajectories-optional-download" title="Link to this heading">#</a></h3>
 <table class="table">
 <thead>
 <tr class="row-odd"><th class="head"><p>Number</p></th>
@@ -827,14 +782,14 @@ <h4>Catalyst system trajectories (optional download)<a class="headerlink" href="
 </section>
 </section>
 <section id="bader-charge-data">
-<h3>Bader charge data<a class="headerlink" href="#bader-charge-data" title="Link to this heading">#</a></h3>
+<h2>Bader charge data<a class="headerlink" href="#bader-charge-data" title="Link to this heading">#</a></h2>
 <p>We provide Bader charge data for all final frames of our train + validation systems in OC20 (for both S2EF and IS2RE/RS tasks). A <code class="docutils literal notranslate"><span class="pre">.tar.gz</span></code> file, when downloaded and uncompressed will contain several directories with unique system-ids (of the format <code class="docutils literal notranslate"><span class="pre">random&lt;XYZ&gt;</span></code> where <code class="docutils literal notranslate"><span class="pre">XYZ</span></code> is an integer). Each directory will contain raw Bader charge analysis outputs. For more details on the Bader charge analysis, see https://theory.cm.utexas.edu/henkelman/research/bader/.</p>
 <p>Downloadable link: https://dl.fbaipublicfiles.com/opencatalystproject/data/oc20_bader_data.tar (MD5 checksum: <code class="docutils literal notranslate"><span class="pre">aecc5e23542de49beceb4b7e44c153b9</span></code>)</p>
 </section>
 <section id="oc20-mappings">
-<h3>OC20 mappings<a class="headerlink" href="#oc20-mappings" title="Link to this heading">#</a></h3>
+<h2>OC20 mappings<a class="headerlink" href="#oc20-mappings" title="Link to this heading">#</a></h2>
 <section id="data-mapping-information">
-<h4>Data mapping information<a class="headerlink" href="#data-mapping-information" title="Link to this heading">#</a></h4>
+<h3>Data mapping information<a class="headerlink" href="#data-mapping-information" title="Link to this heading">#</a></h3>
 <p>We provide a Python pickle file containing information about the slab and adsorbates for each of the systems in OC20 dataset. Loading the pickle file will load a Python dictionary. The keys of this dictionary are the adsorbate+catalyst system-ids (of the format <code class="docutils literal notranslate"><span class="pre">random&lt;XYZ&gt;</span></code>  where <code class="docutils literal notranslate"><span class="pre">XYZ</span></code> is an integer), and the corresponding value of each key is a dictionary with information about:</p>
 <ul class="simple">
 <li><p><code class="docutils literal notranslate"><span class="pre">bulk_mpid</span></code> : Materials Project ID of the bulk system used corresponding the the catalyst surface</p></li>
@@ -876,7 +831,7 @@ <h4>Data mapping information<a class="headerlink" href="#data-mapping-informatio
 </section>
 </section>
 <section id="adsorbate-catalyst-system-to-catalyst-system-mapping-information">
-<h3>Adsorbate-catalyst system to catalyst system mapping information<a class="headerlink" href="#adsorbate-catalyst-system-to-catalyst-system-mapping-information" title="Link to this heading">#</a></h3>
+<h2>Adsorbate-catalyst system to catalyst system mapping information<a class="headerlink" href="#adsorbate-catalyst-system-to-catalyst-system-mapping-information" title="Link to this heading">#</a></h2>
 <p>We provide a Python pickle file containing information about the mapping from adsorbate-catalyst systems to their corresponding catalyst systems. Loading the pickle file will load a Python dictionary. The keys of this dictionary are the adsorbate+catalyst system-ids (of the format <code class="docutils literal notranslate"><span class="pre">random&lt;XYZ&gt;</span></code>  where <code class="docutils literal notranslate"><span class="pre">XYZ</span></code> is an integer), and values will be the catalyst system-ids (of the format <code class="docutils literal notranslate"><span class="pre">random&lt;PQR&gt;</span></code> where <code class="docutils literal notranslate"><span class="pre">PQR</span></code> is an integer).</p>
 <p>Downloadable link: https://dl.fbaipublicfiles.com/opencatalystproject/data/mapping_adslab_slab.pkl (MD5 checksum: <code class="docutils literal notranslate"><span class="pre">079041076c3f15d18ecb5d17c509cdfe</span></code>)</p>
 <p>An example entry is</p>
@@ -885,22 +840,22 @@ <h3>Adsorbate-catalyst system to catalyst system mapping information<a class="he
 </div>
 </section>
 <section id="dataset-changelog">
-<h3>Dataset changelog<a class="headerlink" href="#dataset-changelog" title="Link to this heading">#</a></h3>
+<h2>Dataset changelog<a class="headerlink" href="#dataset-changelog" title="Link to this heading">#</a></h2>
 <section id="september-2021">
-<h4>September 2021<a class="headerlink" href="#september-2021" title="Link to this heading">#</a></h4>
+<h3>September 2021<a class="headerlink" href="#september-2021" title="Link to this heading">#</a></h3>
 <ul class="simple">
 <li><p>Released IS2RE <code class="docutils literal notranslate"><span class="pre">test-challenge</span></code> data for the <a class="reference external" href="https://opencatalystproject.org/challenge.html">Open Catalyst Challenge 2021</a></p></li>
 </ul>
 </section>
 <section id="march-2021">
-<h4>March 2021<a class="headerlink" href="#march-2021" title="Link to this heading">#</a></h4>
+<h3>March 2021<a class="headerlink" href="#march-2021" title="Link to this heading">#</a></h3>
 <ul class="simple">
 <li><p>Modified the pickle corresponding to data mapping information. Now the pickle includes extra information about <code class="docutils literal notranslate"><span class="pre">miller_index</span></code>, <code class="docutils literal notranslate"><span class="pre">shift</span></code>, <code class="docutils literal notranslate"><span class="pre">top</span></code> and <code class="docutils literal notranslate"><span class="pre">adsorption_site</span></code>.</p></li>
 <li><p>Added Molecular Dynamics (MD) and rattled data for S2EF task.</p></li>
 </ul>
 </section>
 <section id="version-2-feb-2021">
-<h4>Version 2, Feb 2021<a class="headerlink" href="#version-2-feb-2021" title="Link to this heading">#</a></h4>
+<h3>Version 2, Feb 2021<a class="headerlink" href="#version-2-feb-2021" title="Link to this heading">#</a></h3>
 <p>Modifications:</p>
 <ul class="simple">
 <li><p>Removed slab systems which had single frame checkpoints, this led to modifications of reference frame energies of 350k frames out of 130M.</p></li>
@@ -950,7 +905,7 @@ <h4>Version 2, Feb 2021<a class="headerlink" href="#version-2-feb-2021" title="L
 </ul>
 </section>
 <section id="version-1-oct-2020">
-<h4>Version 1, Oct 2020<a class="headerlink" href="#version-1-oct-2020" title="Link to this heading">#</a></h4>
+<h3>Version 1, Oct 2020<a class="headerlink" href="#version-1-oct-2020" title="Link to this heading">#</a></h3>
 <p>Total S2EF frames:</p>
 <ul class="simple">
 <li><p>train: 133953162</p></li>
@@ -994,7 +949,7 @@ <h4>Version 1, Oct 2020<a class="headerlink" href="#version-1-oct-2020" title="L
 </section>
 </section>
 <section id="citing-oc20">
-<h3>Citing OC20<a class="headerlink" href="#citing-oc20" title="Link to this heading">#</a></h3>
+<h2>Citing OC20<a class="headerlink" href="#citing-oc20" title="Link to this heading">#</a></h2>
 <p>The Open Catalyst 2020 (OC20) dataset is licensed under a <a class="reference external" href="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 License</a>.</p>
 <p>Please consider citing the following paper in any research manuscript using the OC20 dataset:</p>
 <div class="highlight-bibtex notranslate"><div class="highlight"><pre><span></span><span class="nc">@article</span><span class="p">{</span><span class="nl">ocp_dataset</span><span class="p">,</span>
@@ -1008,261 +963,417 @@ <h3>Citing OC20<a class="headerlink" href="#citing-oc20" title="Link to this hea
 </div>
 </section>
 </section>
-<section id="open-catalyst-2022-oc22">
-<h2>Open Catalyst 2022 (OC22)<a class="headerlink" href="#open-catalyst-2022-oc22" title="Link to this heading">#</a></h2>
-<section id="structure-to-total-energy-and-forces-s2ef-total-task">
-<h3>Structure to Total Energy and Forces (S2EF-Total) task<a class="headerlink" href="#structure-to-total-energy-and-forces-s2ef-total-task" title="Link to this heading">#</a></h3>
-<p>For this task’s train, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input structures from all points in relaxation trajectories along with the energy of the structure and the atomic forces. The validation and test datasets are broken into subsplits based on in-distribution and out-of-distribution materials relative to the training dataset. All LMDBs are compressed into a single <code class="docutils literal notranslate"><span class="pre">.tar.gz</span></code> file.</p>
+<section id="per-adsorbate-trajectories">
+<h1>Per-adsorbate trajectories<a class="headerlink" href="#per-adsorbate-trajectories" title="Link to this heading">#</a></h1>
+<p>Download links are in the table below:</p>
 <table class="table">
 <thead>
-<tr class="row-odd"><th class="head"><p>Splits</p></th>
-<th class="head"><p>Size of compressed version (in bytes)</p></th>
-<th class="head"><p>Size of uncompressed version (in bytes)</p></th>
-<th class="head"><p>MD5 checksum (download link)</p></th>
+<tr class="row-odd"><th class="head"><p>Adsorbate symbol</p></th>
+<th class="head"><p>Downloadable path</p></th>
+<th class="head"><p>size</p></th>
+<th class="head"><p>MD5 checksum</p></th>
 </tr>
 </thead>
 <tbody>
-<tr class="row-even"><td><p>Train (all splits) + Validation (all splits) + test (all splits)</p></td>
-<td><p>20G</p></td>
-<td><p>71G</p></td>
-<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/s2ef_total_train_val_test_lmdbs.tar.gz">ebea523c6f8d61248a37b4dd660b11e6</a></p></td>
+<tr class="row-even"><td><p>*O</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/0.tar</p></td>
+<td><p>1006M</p></td>
+<td><p>d4151542856b4b6405f276808f75358a</p></td>
 </tr>
-<tr class="row-odd"><td><p></p></td>
-<td><p></p></td>
-<td><p></p></td>
-<td><p></p></td>
+<tr class="row-odd"><td><p>*H</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/1.tar</p></td>
+<td><p>850M</p></td>
+<td><p>3697f04faf04251a23da8b88a78209f7</p></td>
 </tr>
-</tbody>
-</table>
-</section>
-<section id="initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-total-energy-is2re-total-tasks">
-<h3>Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Total Energy (IS2RE-Total) tasks<a class="headerlink" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-total-energy-is2re-total-tasks" title="Link to this heading">#</a></h3>
-<p>For IS2RE-Total / IS2RS training, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input initial structures and the output relaxed structures and energies. The validation and test datasets are broken into subsplits based on in-distribution and out-of-distribution materials relative to the training dataset. All LMDBs are compressed into a single <code class="docutils literal notranslate"><span class="pre">.tar.gz</span></code> file.</p>
-<table class="table">
-<thead>
-<tr class="row-odd"><th class="head"><p>Splits</p></th>
-<th class="head"><p>Size of compressed version (in bytes)</p></th>
-<th class="head"><p>Size of uncompressed version (in bytes)</p></th>
-<th class="head"><p>MD5 checksum (download link)</p></th>
+<tr class="row-even"><td><p>*OH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/2.tar</p></td>
+<td><p>1.6G</p></td>
+<td><p>a21081f3f55eb0c98a91021bbe3dac44</p></td>
 </tr>
-</thead>
-<tbody>
-<tr class="row-even"><td><p>Train (all splits) + Validation (all splits) + test (all splits)</p></td>
-<td><p>109M</p></td>
-<td><p>424M</p></td>
-<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/is2res_total_train_val_test_lmdbs.tar.gz">b35dc24e99ef3aeaee6c5c949903de94</a></p></td>
+<tr class="row-odd"><td><p>*OH2</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/3.tar</p></td>
+<td><p>1.8G</p></td>
+<td><p>b12b706854f5d899e02a9ae6578b5d45</p></td>
 </tr>
-<tr class="row-odd"><td><p></p></td>
-<td><p></p></td>
-<td><p></p></td>
-<td><p></p></td>
+<tr class="row-even"><td><p>*C</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/4.tar</p></td>
+<td><p>1.1G</p></td>
+<td><p>e4fe9890764fcf59e01e3ceab089b978</p></td>
 </tr>
-</tbody>
-</table>
-</section>
-<section id="id1">
-<h3>Relaxation Trajectories<a class="headerlink" href="#id1" title="Link to this heading">#</a></h3>
-<section id="system-trajectories-optional-download">
-<h4>System trajectories (optional download)<a class="headerlink" href="#system-trajectories-optional-download" title="Link to this heading">#</a></h4>
-<p>We provide relaxation trajectories for all systems used in train and validation sets of S2EF-Total and IS2RE-Total/RS task:</p>
-<table class="table">
-<thead>
-<tr class="row-odd"><th class="head"><p>Number</p></th>
-<th class="head"><p>Size of compressed version (in bytes)</p></th>
-<th class="head"><p>Size of uncompressed version (in bytes)</p></th>
-<th class="head"><p>MD5 checksum (download link)</p></th>
+<tr class="row-odd"><td><p>*CH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/6.tar</p></td>
+<td><p>1.4G</p></td>
+<td><p>ec9aa2c4c4bd4419359438ba7fbb881d</p></td>
 </tr>
-</thead>
-<tbody>
-<tr class="row-even"><td><p>S2EF and IS2RE (both train and validation)</p></td>
-<td><p>34G</p></td>
-<td><p>80G</p></td>
-<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc22_trajectories.tar.gz">977b6be1cbac6864e63c4c7fbf8a3fce</a></p></td>
+<tr class="row-even"><td><p>*CHO</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/7.tar</p></td>
+<td><p>1.4G</p></td>
+<td><p>d32200f74ad5c3bfd42e8835f36d57ab</p></td>
 </tr>
-<tr class="row-odd"><td><p></p></td>
-<td><p></p></td>
-<td><p></p></td>
-<td><p></p></td>
+<tr class="row-odd"><td><p>*COH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/8.tar</p></td>
+<td><p>1.6G</p></td>
+<td><p>5418a1b331f6c7689a5405cca4cc8d15</p></td>
 </tr>
-</tbody>
-</table>
-</section>
-</section>
-<section id="oc22-mappings">
-<h3>OC22 Mappings<a class="headerlink" href="#oc22-mappings" title="Link to this heading">#</a></h3>
-<section id="id2">
-<h4>Data mapping information<a class="headerlink" href="#id2" title="Link to this heading">#</a></h4>
-<p>We provide a Python pickle file containing information about the slab and adsorbates for each of the systems in OC22 dataset. Loading the pickle file will load a Python dictionary. The keys of this dictionary are the system-ids (of the format <code class="docutils literal notranslate"><span class="pre">XYZ</span></code>  where <code class="docutils literal notranslate"><span class="pre">XYZ</span></code> is an integer, corresponding to the <code class="docutils literal notranslate"><span class="pre">sid</span></code> in the LMDB Data object), and the corresponding value of each key is a dictionary with information about:</p>
-<ul class="simple">
-<li><p><code class="docutils literal notranslate"><span class="pre">bulk_id</span></code>: Materials Project ID of the bulk system used corresponding the the catalyst surface</p></li>
-<li><p><code class="docutils literal notranslate"><span class="pre">bulk_symbols</span></code>: Chemical composition of the bulk counterpart</p></li>
-<li><p><code class="docutils literal notranslate"><span class="pre">miller_index</span></code>: 3-tuple of integers indicating the Miller indices of the surface</p></li>
-<li><p><code class="docutils literal notranslate"><span class="pre">traj_id</span></code>: Identifier associated with the accompanying raw trajectory (if available)</p></li>
-<li><p><code class="docutils literal notranslate"><span class="pre">slab_sid</span></code>: Identifier associated with the corresponding slab (if available)</p></li>
-<li><p><code class="docutils literal notranslate"><span class="pre">ads_symbols</span></code>: Chemical composition of the adsorbate counterpart (adosrbate+slabs only)</p></li>
-<li><p><code class="docutils literal notranslate"><span class="pre">nads</span></code>: Number of adsorbates present</p></li>
-</ul>
-<p>Downloadable link:  https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc22_metadata.pkl (MD5 checksum: <code class="docutils literal notranslate"><span class="pre">13dc06c6510346d8a7f614d5b26c8ffa</span></code> )</p>
-<p>An example adsorbate+slab entry:</p>
-<div class="highlight-default notranslate"><div class="highlight"><pre><span></span> <span class="mi">6877</span><span class="p">:</span> <span class="p">{</span><span class="s1">&#39;bulk_id&#39;</span><span class="p">:</span> <span class="s1">&#39;mp-559112&#39;</span><span class="p">,</span>
-  <span class="s1">&#39;miller_index&#39;</span><span class="p">:</span> <span class="p">(</span><span class="mi">1</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span> <span class="mi">0</span><span class="p">),</span>
-  <span class="s1">&#39;nads&#39;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span>
-  <span class="s1">&#39;traj_id&#39;</span><span class="p">:</span> <span class="s1">&#39;K2Zn6O7_mp-559112_RyQXa0N0uc_ohyUKozY3G&#39;</span><span class="p">,</span>
-  <span class="s1">&#39;bulk_symbols&#39;</span><span class="p">:</span> <span class="s1">&#39;K4Zn12O14&#39;</span><span class="p">,</span>
-  <span class="s1">&#39;slab_sid&#39;</span><span class="p">:</span> <span class="mi">30859</span><span class="p">,</span>
-  <span class="s1">&#39;ads_symbols&#39;</span><span class="p">:</span> <span class="s1">&#39;O2&#39;</span><span class="p">},</span>
-</pre></div>
-</div>
-<p>An example slab entry:</p>
-<div class="highlight-default notranslate"><div class="highlight"><pre><span></span> <span class="mi">34815</span><span class="p">:</span> <span class="p">{</span><span class="s1">&#39;bulk_id&#39;</span><span class="p">:</span> <span class="s1">&#39;mp-18793&#39;</span><span class="p">,</span>
-  <span class="s1">&#39;miller_index&#39;</span><span class="p">:</span> <span class="p">(</span><span class="mi">1</span><span class="p">,</span> <span class="mi">2</span><span class="p">,</span> <span class="mi">1</span><span class="p">),</span>
-  <span class="s1">&#39;nads&#39;</span><span class="p">:</span> <span class="mi">0</span><span class="p">,</span>
-  <span class="s1">&#39;traj_id&#39;</span><span class="p">:</span> <span class="s1">&#39;LiCrO2_mp-18793_clean_3HDHBg6TIz&#39;</span><span class="p">,</span>
-  <span class="s1">&#39;bulk_symbols&#39;</span><span class="p">:</span> <span class="s1">&#39;Li2Cr2O4&#39;</span><span class="p">},</span>
-</pre></div>
-</div>
-</section>
-<section id="id3">
-<h4><a class="headerlink" href="#id3" title="Link to this heading">#</a></h4>
-</section>
-<section id="oc20-reference-information">
-<h4>OC20 reference information<a class="headerlink" href="#oc20-reference-information" title="Link to this heading">#</a></h4>
-<p>In order to train models on OC20 total energy, we provide a Python pickle file containing the energy necessary to convert adsorption energy values to total energy. Loading the pickle file will load a Python dictionary. The keys of this dictionary are the system-ids (of the format <code class="docutils literal notranslate"><span class="pre">random&lt;XYZ&gt;</span></code>  where <code class="docutils literal notranslate"><span class="pre">XYZ</span></code> is an integer, corresponding to the <code class="docutils literal notranslate"><span class="pre">sid</span></code> in the LMDB Data object), and the corresponding value of each key is the energy to be added to OC20 energy values. To train on total energies for OC20, specify the path to this pickle file in your training configs.</p>
-<p>Downloadable link:  https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc20_ref.pkl (MD5 checksum: <code class="docutils literal notranslate"><span class="pre">043e1e0b0cce64c62f01a8563dbc3178</span></code>)</p>
-</section>
-<section id="id4">
-<h4><a class="headerlink" href="#id4" title="Link to this heading">#</a></h4>
-</section>
-</section>
-<section id="citing-oc22">
-<h3>Citing OC22<a class="headerlink" href="#citing-oc22" title="Link to this heading">#</a></h3>
-<p>The Open Catalyst 2022 (OC22) dataset is licensed under a <a class="reference external" href="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 License</a>.</p>
-<p>Please consider citing the following paper in any research manuscript using the OC22 dataset:</p>
-<div class="highlight-bibtex notranslate"><div class="highlight"><pre><span></span><span class="nc">@article</span><span class="p">{</span><span class="nl">oc22_dataset</span><span class="p">,</span>
-<span class="w">    </span><span class="na">author</span><span class="w"> </span><span class="p">=</span><span class="w"> </span><span class="s">{Tran*, Richard and Lan*, Janice and Shuaibi*, Muhammed and Wood*, Brandon and Goyal*, Siddharth and Das, Abhishek and Heras-Domingo, Javier and Kolluru, Adeesh and Rizvi, Ammar and Shoghi, Nima and Sriram, Anuroop and Ulissi, Zachary and Zitnick, C. Lawrence}</span><span class="p">,</span>
-<span class="w">    </span><span class="na">title</span><span class="w"> </span><span class="p">=</span><span class="w"> </span><span class="s">{The Open Catalyst 2022 (OC22) dataset and challenges for oxide electrocatalysts}</span><span class="p">,</span>
-<span class="w">    </span><span class="na">journal</span><span class="w"> </span><span class="p">=</span><span class="w"> </span><span class="s">{ACS Catalysis}</span><span class="p">,</span>
-<span class="w">    </span><span class="na">year</span><span class="p">=</span><span class="s">{2023}</span><span class="p">,</span>
-<span class="p">}</span>
-</pre></div>
-</div>
-</section>
-</section>
-<section id="open-direct-air-capture-2023-odac23">
-<h2>Open Direct Air Capture 2023 (ODAC23)<a class="headerlink" href="#open-direct-air-capture-2023-odac23" title="Link to this heading">#</a></h2>
-<section id="id5">
-<h3>Structure to Energy and Forces (S2EF) task<a class="headerlink" href="#id5" title="Link to this heading">#</a></h3>
-<p>We provide precomputed LMDBs for train, validation, and the various test sets that can be used directly with the dataloaders provided in our code. The LMDBs contain input structures from all points in relaxation trajectories along with the energy of the structure and the atomic forces. The dataset contains an in-domain test set and 4 out-of-domain test sets (ood-large, ood-linker, ood-topology, and ood-linker &amp; topology). All LMDbs  are compressed into a single <code class="docutils literal notranslate"><span class="pre">.tar.gz</span></code> file.</p>
-<table class="table">
-<thead>
-<tr class="row-odd"><th class="head"><p>Splits</p></th>
-<th class="head"><p>Size of compressed version (in bytes)</p></th>
-<th class="head"><p>Size of uncompressed version (in bytes)</p></th>
-<th class="head"><p>MD5 checksum (download link)</p></th>
+<tr class="row-even"><td><p>*CH2</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/9.tar</p></td>
+<td><p>1.6G</p></td>
+<td><p>8ee1066149c305d7c17c219b369c5a73</p></td>
 </tr>
-</thead>
-<tbody>
-<tr class="row-even"><td><p>Train + Validation + Test (all splits)</p></td>
-<td><p>172G</p></td>
-<td><p>476G</p></td>
-<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/large_objects/dac/datasets/odac23_s2ef.tar.gz">162f0660b2f1c9209c5b57f7b9e545a7</a></p></td>
+<tr class="row-odd"><td><p><em>CH2</em>O</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/10.tar</p></td>
+<td><p>1.7G</p></td>
+<td><p>960c2450814024b66f3c79121179ac60</p></td>
 </tr>
-<tr class="row-odd"><td><p></p></td>
-<td><p></p></td>
-<td><p></p></td>
-<td><p></p></td>
+<tr class="row-even"><td><p>*CHOH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/11.tar</p></td>
+<td><p>1.8G</p></td>
+<td><p>60ac9f965f9589a3389483e3d1e58144</p></td>
 </tr>
-</tbody>
-</table>
-<p>The train and val splits are also available in <code class="docutils literal notranslate"><span class="pre">extxyz</span></code> formats. Each trajectory is in stored in a different <code class="docutils literal notranslate"><span class="pre">extxyz</span></code> file.</p>
-<table class="table">
-<thead>
-<tr class="row-odd"><th class="head"><p>Splits</p></th>
-<th class="head"><p>Size of compressed version (in bytes)</p></th>
-<th class="head"><p>Size of uncompressed version (in bytes)</p></th>
-<th class="head"><p>MD5 checksum (download link)</p></th>
+<tr class="row-odd"><td><p>*CH3</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/12.tar</p></td>
+<td><p>1.7G</p></td>
+<td><p>7e123e6f4fb10d6897be3f47721dfd4a</p></td>
 </tr>
-</thead>
-<tbody>
-<tr class="row-even"><td><p>Train</p></td>
-<td><p>232G</p></td>
-<td><p>781G</p></td>
-<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/large_objects/dac/datasets/extxyz_train.tar.gz">381e72fd8b9c055065fd3afff6b0945b</a></p></td>
+<tr class="row-even"><td><p>*OCH3</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/13.tar</p></td>
+<td><p>1.8G</p></td>
+<td><p>0823047bbbe05fa0e63f9d83ec601487</p></td>
 </tr>
-<tr class="row-odd"><td><p>Val</p></td>
-<td><p>5.1G</p></td>
-<td><p>18G</p></td>
-<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/dac/datasets/extxyz_val.tar.gz">09913759c6e0f8d649f7ec9dff9e0e8b</a></p></td>
+<tr class="row-odd"><td><p>*CH2OH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/14.tar</p></td>
+<td><p>1.9G</p></td>
+<td><p>9ac71e198d75b1427182cd34abb73e4d</p></td>
 </tr>
-<tr class="row-even"><td><p></p></td>
-<td><p></p></td>
-<td><p></p></td>
-<td><p></p></td>
+<tr class="row-even"><td><p>*CH4</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/15.tar</p></td>
+<td><p>1.9G</p></td>
+<td><p>a405ce403018bf8afbd4425d5c0b34d5</p></td>
 </tr>
-</tbody>
-</table>
-</section>
-<section id="initial-structure-to-relaxed-structure-is2rs-relaxed-energy-is2re-tasks">
-<h3>Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE) tasks<a class="headerlink" href="#initial-structure-to-relaxed-structure-is2rs-relaxed-energy-is2re-tasks" title="Link to this heading">#</a></h3>
-<p>For IS2RE / IS2RS training, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input initial structures and the output relaxed structures and energies. The dataset contains an in-domain test set and 4 out-of-domain test sets (ood-large, ood-linker, ood-topology, and ood-linker &amp; topology). All LMDBs are compressed into a single <code class="docutils literal notranslate"><span class="pre">.tar.gz</span></code> file.</p>
-<table class="table">
-<thead>
-<tr class="row-odd"><th class="head"><p>Splits</p></th>
-<th class="head"><p>Size of compressed version (in bytes)</p></th>
-<th class="head"><p>Size of uncompressed version (in bytes)</p></th>
-<th class="head"><p>MD5 checksum (download link)</p></th>
+<tr class="row-odd"><td><p>*OHCH3</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/16.tar</p></td>
+<td><p>2.1G</p></td>
+<td><p>d3c829f1952db6e4f428273ee05f59b1</p></td>
 </tr>
-</thead>
-<tbody>
-<tr class="row-even"><td><p>Train + Validation + Test (all splits)</p></td>
-<td><p>809M</p></td>
+<tr class="row-even"><td><p><em>C</em>C</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/17.tar</p></td>
+<td><p>1.5G</p></td>
+<td><p>d687a151345305897b9245af4b0f9967</p></td>
+</tr>
+<tr class="row-odd"><td><p>*CCO</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/18.tar</p></td>
+<td><p>1.7G</p></td>
+<td><p>214ca96e620c5ec6e8a6ff8144a22a04</p></td>
+</tr>
+<tr class="row-even"><td><p>*CCH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/19.tar</p></td>
+<td><p>1.6G</p></td>
+<td><p>da2268545e80ca1664026449dd2fdd24</p></td>
+</tr>
+<tr class="row-odd"><td><p>*CHCO</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/20.tar</p></td>
+<td><p>1.7G</p></td>
+<td><p>386c99407fe63080d26cda525dfdd8cd</p></td>
+</tr>
+<tr class="row-even"><td><p>*CCHO</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/21.tar</p></td>
+<td><p>1.8G</p></td>
+<td><p>918b20960438494ab160a9dbd9668157</p></td>
+</tr>
+<tr class="row-odd"><td><p>*COCHO</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/22.tar</p></td>
+<td><p>1.8G</p></td>
+<td><p>84424aa2ad30301e23ece1438ea39923</p></td>
+</tr>
+<tr class="row-even"><td><p>*CCHOH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/23.tar</p></td>
+<td><p>2.0G</p></td>
+<td><p>3cc90425ec042a70085ba7eb2916a79a</p></td>
+</tr>
+<tr class="row-odd"><td><p>*CCH2</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/24.tar</p></td>
+<td><p>1.8G</p></td>
+<td><p>9dbcf7566e40965dd7f8a186a75a718e</p></td>
+</tr>
+<tr class="row-even"><td><p><em>CH</em>CH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/25.tar</p></td>
+<td><p>1.7G</p></td>
+<td><p>a193b4c72f915ba0b21a41790696b23c</p></td>
+</tr>
+<tr class="row-odd"><td><p>CH2*CO</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/26.tar</p></td>
+<td><p>1.8G</p></td>
+<td><p>de83cf50247f5556fa4f9f64beff1eeb</p></td>
+</tr>
+<tr class="row-even"><td><p>*CHCHO</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/27.tar</p></td>
+<td><p>1.9G</p></td>
+<td><p>1d140aaa2e7b287124ab38911a711d70</p></td>
+</tr>
+<tr class="row-odd"><td><p><em>CH</em>COH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/28.tar</p></td>
+<td><p>1.3G</p></td>
+<td><p>682d8a6b05ca5948b34dc5e5f6bbcd61</p></td>
+</tr>
+<tr class="row-even"><td><p>*COCH2O</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/29.tar</p></td>
+<td><p>1.9G</p></td>
+<td><p>c8742faa8ca40e8edb4110069817fa70</p></td>
+</tr>
+<tr class="row-odd"><td><p><em>CHO</em>CHO</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/30.tar</p></td>
+<td><p>2.0G</p></td>
+<td><p>8cfbb67beb312b98c40fcb891dfa480a</p></td>
+</tr>
+<tr class="row-even"><td><p>*COHCHO</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/31.tar</p></td>
+<td><p>1.9G</p></td>
+<td><p>6ffa903a62d8ec3319ecec6a03b06276</p></td>
+</tr>
+<tr class="row-odd"><td><p>*COHCOH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/32.tar</p></td>
+<td><p>2.0G</p></td>
+<td><p>caca0058b641bfdc9f8de4527e60feb7</p></td>
+</tr>
+<tr class="row-even"><td><p>*CCH3</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/33.tar</p></td>
+<td><p>1.8G</p></td>
+<td><p>906543aaefc171edab388ff4f0fe8a20</p></td>
+</tr>
+<tr class="row-odd"><td><p>*CHCH2</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/34.tar</p></td>
+<td><p>1.8G</p></td>
+<td><p>4dfab479495f76179749c1956046fbd8</p></td>
+</tr>
+<tr class="row-even"><td><p>*COCH3</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/35.tar</p></td>
+<td><p>1.9G</p></td>
+<td><p>29d1b992715054e920e8bb2afe97b393</p></td>
+</tr>
+<tr class="row-odd"><td><p>*CHCHOH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/38.tar</p></td>
+<td><p>2.0G</p></td>
+<td><p>9e5912df6f7b11706d1046cdb9e3087e</p></td>
+</tr>
+<tr class="row-even"><td><p>*CCH2OH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/39.tar</p></td>
+<td><p>2.1G</p></td>
+<td><p>7bcae43cee451306e34ec416588a7f09</p></td>
+</tr>
+<tr class="row-odd"><td><p>*CHOCHOH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/40.tar</p></td>
+<td><p>2.0G</p></td>
+<td><p>f98866d08fe3451ae7ebc47bb51599aa</p></td>
+</tr>
+<tr class="row-even"><td><p>*COCH2OH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/41.tar</p></td>
+<td><p>1.4G</p></td>
+<td><p>bfaf689e5827fcf26c51e567bb8dd1be</p></td>
+</tr>
+<tr class="row-odd"><td><p>*COHCHOH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/42.tar</p></td>
+<td><p>2.0G</p></td>
+<td><p>236fe4e950aa2fbdde94ef2821fb48d2</p></td>
+</tr>
+<tr class="row-even"><td><p>*OCHCH3</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/44.tar</p></td>
+<td><p>2.1G</p></td>
+<td><p>66acc5460a999625c3364f0f3bcca871</p></td>
+</tr>
+<tr class="row-odd"><td><p>*COHCH3</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/45.tar</p></td>
+<td><p>2.1G</p></td>
+<td><p>bb4a01956736399c8cee5e219f8c1229</p></td>
+</tr>
+<tr class="row-even"><td><p>*CHOHCH2</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/46.tar</p></td>
+<td><p>2.1G</p></td>
+<td><p>e836de4ec146b1b611533f1ef682cace</p></td>
+</tr>
+<tr class="row-odd"><td><p>*CHCH2OH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/47.tar</p></td>
+<td><p>2.0G</p></td>
+<td><p>66df44121806debef6dc038df7115d1d</p></td>
+</tr>
+<tr class="row-even"><td><p>*OCH2CHOH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/48.tar</p></td>
 <td><p>2.2G</p></td>
-<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/dac/datasets/odac23_is2r.tar.gz">f7f2f58669a30abae8cb9ba1b7f2bcd2</a></p></td>
+<td><p>ff6981fdbcd2e65d351505c15d218d76</p></td>
 </tr>
-<tr class="row-odd"><td><p></p></td>
-<td><p></p></td>
-<td><p></p></td>
-<td><p></p></td>
+<tr class="row-odd"><td><p>*CHOCH2OH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/49.tar</p></td>
+<td><p>2.1G</p></td>
+<td><p>448f7d352ab6e32f754e24de64ca302a</p></td>
 </tr>
-</tbody>
-</table>
-</section>
-<section id="ddec-charges">
-<h3>DDEC Charges<a class="headerlink" href="#ddec-charges" title="Link to this heading">#</a></h3>
-<p>We provide DDEC charges computed for all MOFs in the ODAC23 dataset. A small number of MOFs (~2%) are missing these charges because the DDEC calcuations failed for them.</p>
-<table class="table">
-<thead>
-<tr class="row-odd"><th class="head"><p>Size of compressed version (in bytes)</p></th>
-<th class="head"><p>Size of uncompressed version (in bytes)</p></th>
-<th class="head"><p>MD5 checksum (download link)</p></th>
+<tr class="row-even"><td><p>*COHCH2OH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/50.tar</p></td>
+<td><p>2.1G</p></td>
+<td><p>8bff6bf3e10cc84acc4a283a375fcc23</p></td>
 </tr>
-</thead>
-<tbody>
-<tr class="row-even"><td><p>147M</p></td>
-<td><p>534M</p></td>
-<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/dac/datasets/ddec.tar.gz">81927b78d9e4184cc3c398e79760126a</a></p></td>
+<tr class="row-odd"><td><p>*CHOHCHOH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/51.tar</p></td>
+<td><p>2.0G</p></td>
+<td><p>9c9e4d617d306751760a80f1453e71f1</p></td>
 </tr>
-<tr class="row-odd"><td><p></p></td>
-<td><p></p></td>
-<td><p></p></td>
+<tr class="row-even"><td><p>*CH2CH3</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/52.tar</p></td>
+<td><p>2.0G</p></td>
+<td><p>ec1e964d2ee6f468fa5773743e3994a4</p></td>
+</tr>
+<tr class="row-odd"><td><p>*OCH2CH3</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/53.tar</p></td>
+<td><p>2.1G</p></td>
+<td><p>d297b27b02822f9b6af80bdb64aee819</p></td>
+</tr>
+<tr class="row-even"><td><p>*CHOHCH3</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/54.tar</p></td>
+<td><p>2.1G</p></td>
+<td><p>368de083dafdc3bbdb560d35e2a102c0</p></td>
+</tr>
+<tr class="row-odd"><td><p>*CH2CH2OH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/55.tar</p></td>
+<td><p>2.1G</p></td>
+<td><p>3c1aaf790659f7ff89bf1eed8b396b63</p></td>
+</tr>
+<tr class="row-even"><td><p>*CHOHCH2OH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/56.tar</p></td>
+<td><p>2.2G</p></td>
+<td><p>2d71adb9e305e6f3bca49e5df9b5a86a</p></td>
+</tr>
+<tr class="row-odd"><td><p>*OHCH2CH3</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/57.tar</p></td>
+<td><p>2.3G</p></td>
+<td><p>cf51128f8522b7b66fc68d79980d6def</p></td>
+</tr>
+<tr class="row-even"><td><p>*NH2N(CH3)2</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/58.tar</p></td>
+<td><p>1.6G</p></td>
+<td><p>36ba974d80c20ff636431f7c0ad225da</p></td>
+</tr>
+<tr class="row-odd"><td><p>*ONN(CH3)2</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/59.tar</p></td>
+<td><p>2.3G</p></td>
+<td><p>fdc4cd19977496909d61be4aee61c4f1</p></td>
+</tr>
+<tr class="row-even"><td><p>*OHNNCH3</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/60.tar</p></td>
+<td><p>2.1G</p></td>
+<td><p>50a6ff098f9ba7adbba9ac115726cc5a</p></td>
+</tr>
+<tr class="row-odd"><td><p>*ONH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/62.tar</p></td>
+<td><p>1.8G</p></td>
+<td><p>47573199c545afe46c554ff756c3e38f</p></td>
+</tr>
+<tr class="row-even"><td><p>*NHNH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/63.tar</p></td>
+<td><p>1.7G</p></td>
+<td><p>dd456b7e19ef592d9f0308d911b91d7c</p></td>
+</tr>
+<tr class="row-odd"><td><p><em>N</em>NH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/65.tar</p></td>
+<td><p>1.6G</p></td>
+<td><p>c05289fd56d64c74306ebf57f1061318</p></td>
+</tr>
+<tr class="row-even"><td><p>*NO2NO2</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/67.tar</p></td>
+<td><p>2.1G</p></td>
+<td><p>4822a06f6c5f41bdefd3cbbd8856c11f</p></td>
+</tr>
+<tr class="row-odd"><td><p><em>N</em>NO</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/68.tar</p></td>
+<td><p>1.6G</p></td>
+<td><p>2a27de122d32917cc5b6ac0a21c63c1c</p></td>
+</tr>
+<tr class="row-even"><td><p>*N2</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/69.tar</p></td>
+<td><p>1.5G</p></td>
+<td><p>cc668fecf679b6edaac8fd8fb9cdd404</p></td>
+</tr>
+<tr class="row-odd"><td><p>*ONNH2</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/70.tar</p></td>
+<td><p>2.1G</p></td>
+<td><p>dff880f1a5baa7f67b52fd3ed745443d</p></td>
+</tr>
+<tr class="row-even"><td><p>*NH2</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/71.tar</p></td>
+<td><p>1.6G</p></td>
+<td><p>c7f383b50faa6244e265c9611466cb8f</p></td>
+</tr>
+<tr class="row-odd"><td><p>*NH3</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/72.tar</p></td>
+<td><p>1.9G</p></td>
+<td><p>2b355741f9300445703270e0e4b8c01c</p></td>
+</tr>
+<tr class="row-even"><td><p>*NONH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/73.tar</p></td>
+<td><p>1.8G</p></td>
+<td><p>48877a0c6f2994baac82cb722711aaa2</p></td>
+</tr>
+<tr class="row-odd"><td><p>*NH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/74.tar</p></td>
+<td><p>1.4G</p></td>
+<td><p>7979b9e7ab557d6979b33e352486f0ef</p></td>
+</tr>
+<tr class="row-even"><td><p>*NO2</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/75.tar</p></td>
+<td><p>1.7G</p></td>
+<td><p>9f352fbc32bb2b8caf4788aba28b2eb7</p></td>
+</tr>
+<tr class="row-odd"><td><p>*NO</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/76.tar</p></td>
+<td><p>1.4G</p></td>
+<td><p>482ee306a5ae2eee78cac40d10059ebc</p></td>
+</tr>
+<tr class="row-even"><td><p>*N</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/77.tar</p></td>
+<td><p>1.1G</p></td>
+<td><p>bfb6e03d4a687987ff68976f0793cc46</p></td>
+</tr>
+<tr class="row-odd"><td><p>*NO3</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/78.tar</p></td>
+<td><p>1.8G</p></td>
+<td><p>700834326e789a6e38bf3922d9fcb792</p></td>
+</tr>
+<tr class="row-even"><td><p>*OHNH2</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/79.tar</p></td>
+<td><p>2.1G</p></td>
+<td><p>fa24472e0c02c34d91f3ffe6b77bfb11</p></td>
+</tr>
+<tr class="row-odd"><td><p>*ONOH</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/80.tar</p></td>
+<td><p>1.4G</p></td>
+<td><p>4ddcccd62a834a76fe6167461f512529</p></td>
+</tr>
+<tr class="row-even"><td><p>*CN</p></td>
+<td><p>https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/81.tar</p></td>
+<td><p>1.5G</p></td>
+<td><p>bc7c55330ece006d09496a5ff01d5d50</p></td>
 </tr>
 </tbody>
 </table>
-</section>
-<section id="citing-odac23">
-<h3>Citing ODAC23<a class="headerlink" href="#citing-odac23" title="Link to this heading">#</a></h3>
-<p>The OpenDAC 2023 (ODAC23) dataset is licensed under a <a class="reference external" href="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 License</a>.</p>
-<p>Please consider citing the following paper in any research manuscript using the ODAC23 dataset:</p>
-<div class="highlight-bibtex notranslate"><div class="highlight"><pre><span></span><span class="nc">@article</span><span class="p">{</span><span class="nl">odac23_dataset</span><span class="p">,</span>
-<span class="w">    </span><span class="na">author</span><span class="w"> </span><span class="p">=</span><span class="w"> </span><span class="s">{Anuroop Sriram and Sihoon Choi and Xiaohan Yu and Logan M. Brabson and Abhishek Das and Zachary Ulissi and Matt Uyttendaele and Andrew J. Medford and David S. Sholl}</span><span class="p">,</span>
-<span class="w">    </span><span class="na">title</span><span class="w"> </span><span class="p">=</span><span class="w"> </span><span class="s">{The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture}</span><span class="p">,</span>
-<span class="w">    </span><span class="na">year</span><span class="w"> </span><span class="p">=</span><span class="w"> </span><span class="s">{2023}</span><span class="p">,</span>
-<span class="w">    </span><span class="na">journal</span><span class="p">=</span><span class="s">{arXiv preprint arXiv:2311.00341}</span><span class="p">,</span>
-<span class="p">}</span>
-</pre></div>
-</div>
-</section>
-</section>
+<p>Note - A few adsorbates are intentionally left out for the test splits.</p>
+<p>Downloading any of the above and extracting will result in a folder:</p>
+<p><code class="docutils literal notranslate"><span class="pre">&lt;index&gt;/</span></code></p>
+<ul class="simple">
+<li><p><code class="docutils literal notranslate"><span class="pre">system.txt</span></code> Text file containing information about the different adsorbate+catalyst system names. In total there are N systems. More details described below.</p></li>
+<li><p><code class="docutils literal notranslate"><span class="pre">&lt;index&gt;/</span></code></p>
+<ul>
+<li><p>This contains N compressed trajectory files of the format <code class="docutils literal notranslate"><span class="pre">.extxyz.xz</span></code>.</p></li>
+<li><p>Files are named as  <code class="docutils literal notranslate"><span class="pre">&lt;system_id&gt;.extxyz.xz</span></code> (where <code class="docutils literal notranslate"><span class="pre">system_id</span></code> is defined below).</p></li>
+</ul>
+</li>
+</ul>
+<p>where, <code class="docutils literal notranslate"><span class="pre">&lt;index&gt;</span></code> can be 0 to 81. N is dependent on which adsorbate index is chosen.</p>
+<p>The file  <code class="docutils literal notranslate"><span class="pre">system.txt</span></code>  has information in the following format:
+<code class="docutils literal notranslate"><span class="pre">system_id,reference_energy</span></code></p>
+<p>where:</p>
+<ul class="simple">
+<li><p><code class="docutils literal notranslate"><span class="pre">system_id</span> </code>- Internal random ID corresponding to an adsorbate+catalyst system.</p></li>
+<li><p><code class="docutils literal notranslate"><span class="pre">reference_energy</span></code> - Energy used to reference system energies to bare catalyst+gas reference energies. Used for adsorption energy calculations.</p></li>
+</ul>
+<p>The <code class="docutils literal notranslate"><span class="pre">.extxyz.xz</span></code> files are LZMA compressed <code class="docutils literal notranslate"><span class="pre">.extxyz</span></code> trajectory files. Each trajectory corresponds to a relaxation trajectory of a different adsorbate+catalyst system. Information about the <code class="docutils literal notranslate"><span class="pre">.extxyz</span></code> trajectory file format may be found at https://wiki.fysik.dtu.dk/ase/ase/io/formatoptions.html#extxyz.</p>
+<p>In order to uncompress the files, <code class="docutils literal notranslate"><span class="pre">uncompress.py</span></code> provides a multi-core implementation which could be used.</p>
 </section>
 
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-<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#open-catalyst-2020-oc20">Open Catalyst 2020 (OC20)</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#download-and-preprocess-the-dataset">Download and preprocess the dataset</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#structure-to-energy-and-forces-s2ef-task">Structure to Energy and Forces (S2EF) task</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-energy-is2re-tasks">Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Energy (IS2RE) tasks</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#relaxation-trajectories">Relaxation Trajectories</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbate-catalyst-system-trajectories-optional-download">Adsorbate+catalyst system trajectories (optional download)</a><ul class="nav section-nav flex-column">
-<li class="toc-h5 nav-item toc-entry"><a class="reference internal nav-link" href="#per-adsorbate-trajectories-optional-download">Per-adsorbate trajectories (optional download)</a></li>
-</ul>
-</li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#catalyst-system-trajectories-optional-download">Catalyst system trajectories (optional download)</a></li>
+<li class="toc-h1 nav-item toc-entry"><a class="reference internal nav-link" href="#">Open Catalyst 2020 (OC20)</a><ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#download-and-preprocess-the-dataset">Download and preprocess the dataset</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#structure-to-energy-and-forces-s2ef-task">Structure to Energy and Forces (S2EF) task</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-energy-is2re-tasks">Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Energy (IS2RE) tasks</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#relaxation-trajectories">Relaxation Trajectories</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbate-catalyst-system-trajectories-optional-download">Adsorbate+catalyst system trajectories (optional download)</a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#per-adsorbate-trajectories-optional-download">Per-adsorbate trajectories (optional download)</a></li>
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-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#bader-charge-data">Bader charge data</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#oc20-mappings">OC20 mappings</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#data-mapping-information">Data mapping information</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#catalyst-system-trajectories-optional-download">Catalyst system trajectories (optional download)</a></li>
 </ul>
 </li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbate-catalyst-system-to-catalyst-system-mapping-information">Adsorbate-catalyst system to catalyst system mapping information</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#dataset-changelog">Dataset changelog</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#september-2021">September 2021</a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#march-2021">March 2021</a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#version-2-feb-2021">Version 2, Feb 2021</a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#version-1-oct-2020">Version 1, Oct 2020</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#bader-charge-data">Bader charge data</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#oc20-mappings">OC20 mappings</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data-mapping-information">Data mapping information</a></li>
 </ul>
 </li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#citing-oc20">Citing OC20</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#adsorbate-catalyst-system-to-catalyst-system-mapping-information">Adsorbate-catalyst system to catalyst system mapping information</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#dataset-changelog">Dataset changelog</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#september-2021">September 2021</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#march-2021">March 2021</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#version-2-feb-2021">Version 2, Feb 2021</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#version-1-oct-2020">Version 1, Oct 2020</a></li>
 </ul>
 </li>
-<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#open-catalyst-2022-oc22">Open Catalyst 2022 (OC22)</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#structure-to-total-energy-and-forces-s2ef-total-task">Structure to Total Energy and Forces (S2EF-Total) task</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-total-energy-is2re-total-tasks">Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Total Energy (IS2RE-Total) tasks</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#id1">Relaxation Trajectories</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#system-trajectories-optional-download">System trajectories (optional download)</a></li>
-</ul>
-</li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#oc22-mappings">OC22 Mappings</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#id2">Data mapping information</a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#id3"></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#oc20-reference-information">OC20 reference information</a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#id4"></a></li>
-</ul>
-</li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#citing-oc22">Citing OC22</a></li>
-</ul>
-</li>
-<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#open-direct-air-capture-2023-odac23">Open Direct Air Capture 2023 (ODAC23)</a><ul class="nav section-nav flex-column">
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#id5">Structure to Energy and Forces (S2EF) task</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#initial-structure-to-relaxed-structure-is2rs-relaxed-energy-is2re-tasks">Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE) tasks</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#ddec-charges">DDEC Charges</a></li>
-<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#citing-odac23">Citing ODAC23</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#citing-oc20">Citing OC20</a></li>
 </ul>
 </li>
+<li class="toc-h1 nav-item toc-entry"><a class="reference internal nav-link" href="#per-adsorbate-trajectories">Per-adsorbate trajectories</a></li>
 </ul>
+
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+    <h1>Open Catalyst 2022 (OC22)</h1>
+    <!-- Table of contents -->
+    <div id="print-main-content">
+        <div id="jb-print-toc">
+            
+            <div>
+                <h2> Contents </h2>
+            </div>
+            <nav aria-label="Page">
+                <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#structure-to-total-energy-and-forces-s2ef-total-task">Structure to Total Energy and Forces (S2EF-Total) task</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-total-energy-is2re-total-tasks">Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Total Energy (IS2RE-Total) tasks</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#relaxation-trajectories">Relaxation Trajectories</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#system-trajectories-optional-download">System trajectories (optional download)</a></li>
+</ul>
+</li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#oc22-mappings">OC22 Mappings</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data-mapping-information">Data mapping information</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#id1"></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#oc20-reference-information">OC20 reference information</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#id2"></a></li>
+</ul>
+</li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#citing-oc22">Citing OC22</a></li>
+</ul>
+            </nav>
+        </div>
+    </div>
+</div>
+
+              
+                
+<div id="searchbox"></div>
+                <article class="bd-article">
+                  
+  <section id="open-catalyst-2022-oc22">
+<h1>Open Catalyst 2022 (OC22)<a class="headerlink" href="#open-catalyst-2022-oc22" title="Link to this heading">#</a></h1>
+<section id="structure-to-total-energy-and-forces-s2ef-total-task">
+<h2>Structure to Total Energy and Forces (S2EF-Total) task<a class="headerlink" href="#structure-to-total-energy-and-forces-s2ef-total-task" title="Link to this heading">#</a></h2>
+<p>For this task’s train, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input structures from all points in relaxation trajectories along with the energy of the structure and the atomic forces. The validation and test datasets are broken into subsplits based on in-distribution and out-of-distribution materials relative to the training dataset. All LMDBs are compressed into a single <code class="docutils literal notranslate"><span class="pre">.tar.gz</span></code> file.</p>
+<table class="table">
+<thead>
+<tr class="row-odd"><th class="head"><p>Splits</p></th>
+<th class="head"><p>Size of compressed version (in bytes)</p></th>
+<th class="head"><p>Size of uncompressed version (in bytes)</p></th>
+<th class="head"><p>MD5 checksum (download link)</p></th>
+</tr>
+</thead>
+<tbody>
+<tr class="row-even"><td><p>Train (all splits) + Validation (all splits) + test (all splits)</p></td>
+<td><p>20G</p></td>
+<td><p>71G</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/s2ef_total_train_val_test_lmdbs.tar.gz">ebea523c6f8d61248a37b4dd660b11e6</a></p></td>
+</tr>
+<tr class="row-odd"><td><p></p></td>
+<td><p></p></td>
+<td><p></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</section>
+<section id="initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-total-energy-is2re-total-tasks">
+<h2>Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Total Energy (IS2RE-Total) tasks<a class="headerlink" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-total-energy-is2re-total-tasks" title="Link to this heading">#</a></h2>
+<p>For IS2RE-Total / IS2RS training, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input initial structures and the output relaxed structures and energies. The validation and test datasets are broken into subsplits based on in-distribution and out-of-distribution materials relative to the training dataset. All LMDBs are compressed into a single <code class="docutils literal notranslate"><span class="pre">.tar.gz</span></code> file.</p>
+<table class="table">
+<thead>
+<tr class="row-odd"><th class="head"><p>Splits</p></th>
+<th class="head"><p>Size of compressed version (in bytes)</p></th>
+<th class="head"><p>Size of uncompressed version (in bytes)</p></th>
+<th class="head"><p>MD5 checksum (download link)</p></th>
+</tr>
+</thead>
+<tbody>
+<tr class="row-even"><td><p>Train (all splits) + Validation (all splits) + test (all splits)</p></td>
+<td><p>109M</p></td>
+<td><p>424M</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/is2res_total_train_val_test_lmdbs.tar.gz">b35dc24e99ef3aeaee6c5c949903de94</a></p></td>
+</tr>
+<tr class="row-odd"><td><p></p></td>
+<td><p></p></td>
+<td><p></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</section>
+<section id="relaxation-trajectories">
+<h2>Relaxation Trajectories<a class="headerlink" href="#relaxation-trajectories" title="Link to this heading">#</a></h2>
+<section id="system-trajectories-optional-download">
+<h3>System trajectories (optional download)<a class="headerlink" href="#system-trajectories-optional-download" title="Link to this heading">#</a></h3>
+<p>We provide relaxation trajectories for all systems used in train and validation sets of S2EF-Total and IS2RE-Total/RS task:</p>
+<table class="table">
+<thead>
+<tr class="row-odd"><th class="head"><p>Number</p></th>
+<th class="head"><p>Size of compressed version (in bytes)</p></th>
+<th class="head"><p>Size of uncompressed version (in bytes)</p></th>
+<th class="head"><p>MD5 checksum (download link)</p></th>
+</tr>
+</thead>
+<tbody>
+<tr class="row-even"><td><p>S2EF and IS2RE (both train and validation)</p></td>
+<td><p>34G</p></td>
+<td><p>80G</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc22_trajectories.tar.gz">977b6be1cbac6864e63c4c7fbf8a3fce</a></p></td>
+</tr>
+<tr class="row-odd"><td><p></p></td>
+<td><p></p></td>
+<td><p></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</section>
+</section>
+<section id="oc22-mappings">
+<h2>OC22 Mappings<a class="headerlink" href="#oc22-mappings" title="Link to this heading">#</a></h2>
+<section id="data-mapping-information">
+<h3>Data mapping information<a class="headerlink" href="#data-mapping-information" title="Link to this heading">#</a></h3>
+<p>We provide a Python pickle file containing information about the slab and adsorbates for each of the systems in OC22 dataset. Loading the pickle file will load a Python dictionary. The keys of this dictionary are the system-ids (of the format <code class="docutils literal notranslate"><span class="pre">XYZ</span></code>  where <code class="docutils literal notranslate"><span class="pre">XYZ</span></code> is an integer, corresponding to the <code class="docutils literal notranslate"><span class="pre">sid</span></code> in the LMDB Data object), and the corresponding value of each key is a dictionary with information about:</p>
+<ul class="simple">
+<li><p><code class="docutils literal notranslate"><span class="pre">bulk_id</span></code>: Materials Project ID of the bulk system used corresponding the the catalyst surface</p></li>
+<li><p><code class="docutils literal notranslate"><span class="pre">bulk_symbols</span></code>: Chemical composition of the bulk counterpart</p></li>
+<li><p><code class="docutils literal notranslate"><span class="pre">miller_index</span></code>: 3-tuple of integers indicating the Miller indices of the surface</p></li>
+<li><p><code class="docutils literal notranslate"><span class="pre">traj_id</span></code>: Identifier associated with the accompanying raw trajectory (if available)</p></li>
+<li><p><code class="docutils literal notranslate"><span class="pre">slab_sid</span></code>: Identifier associated with the corresponding slab (if available)</p></li>
+<li><p><code class="docutils literal notranslate"><span class="pre">ads_symbols</span></code>: Chemical composition of the adsorbate counterpart (adosrbate+slabs only)</p></li>
+<li><p><code class="docutils literal notranslate"><span class="pre">nads</span></code>: Number of adsorbates present</p></li>
+</ul>
+<p>Downloadable link:  https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc22_metadata.pkl (MD5 checksum: <code class="docutils literal notranslate"><span class="pre">13dc06c6510346d8a7f614d5b26c8ffa</span></code> )</p>
+<p>An example adsorbate+slab entry:</p>
+<div class="highlight-default notranslate"><div class="highlight"><pre><span></span> <span class="mi">6877</span><span class="p">:</span> <span class="p">{</span><span class="s1">&#39;bulk_id&#39;</span><span class="p">:</span> <span class="s1">&#39;mp-559112&#39;</span><span class="p">,</span>
+  <span class="s1">&#39;miller_index&#39;</span><span class="p">:</span> <span class="p">(</span><span class="mi">1</span><span class="p">,</span> <span class="mi">0</span><span class="p">,</span> <span class="mi">0</span><span class="p">),</span>
+  <span class="s1">&#39;nads&#39;</span><span class="p">:</span> <span class="mi">1</span><span class="p">,</span>
+  <span class="s1">&#39;traj_id&#39;</span><span class="p">:</span> <span class="s1">&#39;K2Zn6O7_mp-559112_RyQXa0N0uc_ohyUKozY3G&#39;</span><span class="p">,</span>
+  <span class="s1">&#39;bulk_symbols&#39;</span><span class="p">:</span> <span class="s1">&#39;K4Zn12O14&#39;</span><span class="p">,</span>
+  <span class="s1">&#39;slab_sid&#39;</span><span class="p">:</span> <span class="mi">30859</span><span class="p">,</span>
+  <span class="s1">&#39;ads_symbols&#39;</span><span class="p">:</span> <span class="s1">&#39;O2&#39;</span><span class="p">},</span>
+</pre></div>
+</div>
+<p>An example slab entry:</p>
+<div class="highlight-default notranslate"><div class="highlight"><pre><span></span> <span class="mi">34815</span><span class="p">:</span> <span class="p">{</span><span class="s1">&#39;bulk_id&#39;</span><span class="p">:</span> <span class="s1">&#39;mp-18793&#39;</span><span class="p">,</span>
+  <span class="s1">&#39;miller_index&#39;</span><span class="p">:</span> <span class="p">(</span><span class="mi">1</span><span class="p">,</span> <span class="mi">2</span><span class="p">,</span> <span class="mi">1</span><span class="p">),</span>
+  <span class="s1">&#39;nads&#39;</span><span class="p">:</span> <span class="mi">0</span><span class="p">,</span>
+  <span class="s1">&#39;traj_id&#39;</span><span class="p">:</span> <span class="s1">&#39;LiCrO2_mp-18793_clean_3HDHBg6TIz&#39;</span><span class="p">,</span>
+  <span class="s1">&#39;bulk_symbols&#39;</span><span class="p">:</span> <span class="s1">&#39;Li2Cr2O4&#39;</span><span class="p">},</span>
+</pre></div>
+</div>
+</section>
+<section id="id1">
+<h3><a class="headerlink" href="#id1" title="Link to this heading">#</a></h3>
+</section>
+<section id="oc20-reference-information">
+<h3>OC20 reference information<a class="headerlink" href="#oc20-reference-information" title="Link to this heading">#</a></h3>
+<p>In order to train models on OC20 total energy, we provide a Python pickle file containing the energy necessary to convert adsorption energy values to total energy. Loading the pickle file will load a Python dictionary. The keys of this dictionary are the system-ids (of the format <code class="docutils literal notranslate"><span class="pre">random&lt;XYZ&gt;</span></code>  where <code class="docutils literal notranslate"><span class="pre">XYZ</span></code> is an integer, corresponding to the <code class="docutils literal notranslate"><span class="pre">sid</span></code> in the LMDB Data object), and the corresponding value of each key is the energy to be added to OC20 energy values. To train on total energies for OC20, specify the path to this pickle file in your training configs.</p>
+<p>Downloadable link:  https://dl.fbaipublicfiles.com/opencatalystproject/data/oc22/oc20_ref.pkl (MD5 checksum: <code class="docutils literal notranslate"><span class="pre">043e1e0b0cce64c62f01a8563dbc3178</span></code>)</p>
+</section>
+<section id="id2">
+<h3><a class="headerlink" href="#id2" title="Link to this heading">#</a></h3>
+</section>
+</section>
+<section id="citing-oc22">
+<h2>Citing OC22<a class="headerlink" href="#citing-oc22" title="Link to this heading">#</a></h2>
+<p>The Open Catalyst 2022 (OC22) dataset is licensed under a <a class="reference external" href="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 License</a>.</p>
+<p>Please consider citing the following paper in any research manuscript using the OC22 dataset:</p>
+<div class="highlight-bibtex notranslate"><div class="highlight"><pre><span></span><span class="nc">@article</span><span class="p">{</span><span class="nl">oc22_dataset</span><span class="p">,</span>
+<span class="w">    </span><span class="na">author</span><span class="w"> </span><span class="p">=</span><span class="w"> </span><span class="s">{Tran*, Richard and Lan*, Janice and Shuaibi*, Muhammed and Wood*, Brandon and Goyal*, Siddharth and Das, Abhishek and Heras-Domingo, Javier and Kolluru, Adeesh and Rizvi, Ammar and Shoghi, Nima and Sriram, Anuroop and Ulissi, Zachary and Zitnick, C. Lawrence}</span><span class="p">,</span>
+<span class="w">    </span><span class="na">title</span><span class="w"> </span><span class="p">=</span><span class="w"> </span><span class="s">{The Open Catalyst 2022 (OC22) dataset and challenges for oxide electrocatalysts}</span><span class="p">,</span>
+<span class="w">    </span><span class="na">journal</span><span class="w"> </span><span class="p">=</span><span class="w"> </span><span class="s">{ACS Catalysis}</span><span class="p">,</span>
+<span class="w">    </span><span class="na">year</span><span class="p">=</span><span class="s">{2023}</span><span class="p">,</span>
+<span class="p">}</span>
+</pre></div>
+</div>
+</section>
+</section>
+
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+    <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#structure-to-total-energy-and-forces-s2ef-total-task">Structure to Total Energy and Forces (S2EF-Total) task</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#initial-structure-to-relaxed-structure-is2rs-and-initial-structure-to-relaxed-total-energy-is2re-total-tasks">Initial Structure to Relaxed Structure (IS2RS) and Initial Structure to Relaxed Total Energy (IS2RE-Total) tasks</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#relaxation-trajectories">Relaxation Trajectories</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#system-trajectories-optional-download">System trajectories (optional download)</a></li>
+</ul>
+</li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#oc22-mappings">OC22 Mappings</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#data-mapping-information">Data mapping information</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#id1"></a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#oc20-reference-information">OC20 reference information</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#id2"></a></li>
+</ul>
+</li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#citing-oc22">Citing OC22</a></li>
+</ul>
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+    <h1>Open Direct Air Capture 2023 (ODAC23)</h1>
+    <!-- Table of contents -->
+    <div id="print-main-content">
+        <div id="jb-print-toc">
+            
+            <div>
+                <h2> Contents </h2>
+            </div>
+            <nav aria-label="Page">
+                <ul class="visible nav section-nav flex-column">
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#structure-to-energy-and-forces-s2ef-task">Structure to Energy and Forces (S2EF) task</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#initial-structure-to-relaxed-structure-is2rs-relaxed-energy-is2re-tasks">Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE) tasks</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#ddec-charges">DDEC Charges</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#citing-odac23">Citing ODAC23</a></li>
+</ul>
+            </nav>
+        </div>
+    </div>
+</div>
+
+              
+                
+<div id="searchbox"></div>
+                <article class="bd-article">
+                  
+  <section id="open-direct-air-capture-2023-odac23">
+<h1>Open Direct Air Capture 2023 (ODAC23)<a class="headerlink" href="#open-direct-air-capture-2023-odac23" title="Link to this heading">#</a></h1>
+<section id="structure-to-energy-and-forces-s2ef-task">
+<h2>Structure to Energy and Forces (S2EF) task<a class="headerlink" href="#structure-to-energy-and-forces-s2ef-task" title="Link to this heading">#</a></h2>
+<p>We provide precomputed LMDBs for train, validation, and the various test sets that can be used directly with the dataloaders provided in our code. The LMDBs contain input structures from all points in relaxation trajectories along with the energy of the structure and the atomic forces. The dataset contains an in-domain test set and 4 out-of-domain test sets (ood-large, ood-linker, ood-topology, and ood-linker &amp; topology). All LMDbs  are compressed into a single <code class="docutils literal notranslate"><span class="pre">.tar.gz</span></code> file.</p>
+<table class="table">
+<thead>
+<tr class="row-odd"><th class="head"><p>Splits</p></th>
+<th class="head"><p>Size of compressed version (in bytes)</p></th>
+<th class="head"><p>Size of uncompressed version (in bytes)</p></th>
+<th class="head"><p>MD5 checksum (download link)</p></th>
+</tr>
+</thead>
+<tbody>
+<tr class="row-even"><td><p>Train + Validation + Test (all splits)</p></td>
+<td><p>172G</p></td>
+<td><p>476G</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/large_objects/dac/datasets/odac23_s2ef.tar.gz">162f0660b2f1c9209c5b57f7b9e545a7</a></p></td>
+</tr>
+<tr class="row-odd"><td><p></p></td>
+<td><p></p></td>
+<td><p></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+<p>The train and val splits are also available in <code class="docutils literal notranslate"><span class="pre">extxyz</span></code> formats. Each trajectory is in stored in a different <code class="docutils literal notranslate"><span class="pre">extxyz</span></code> file.</p>
+<table class="table">
+<thead>
+<tr class="row-odd"><th class="head"><p>Splits</p></th>
+<th class="head"><p>Size of compressed version (in bytes)</p></th>
+<th class="head"><p>Size of uncompressed version (in bytes)</p></th>
+<th class="head"><p>MD5 checksum (download link)</p></th>
+</tr>
+</thead>
+<tbody>
+<tr class="row-even"><td><p>Train</p></td>
+<td><p>232G</p></td>
+<td><p>781G</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/large_objects/dac/datasets/extxyz_train.tar.gz">381e72fd8b9c055065fd3afff6b0945b</a></p></td>
+</tr>
+<tr class="row-odd"><td><p>Val</p></td>
+<td><p>5.1G</p></td>
+<td><p>18G</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/dac/datasets/extxyz_val.tar.gz">09913759c6e0f8d649f7ec9dff9e0e8b</a></p></td>
+</tr>
+<tr class="row-even"><td><p></p></td>
+<td><p></p></td>
+<td><p></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</section>
+<section id="initial-structure-to-relaxed-structure-is2rs-relaxed-energy-is2re-tasks">
+<h2>Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE) tasks<a class="headerlink" href="#initial-structure-to-relaxed-structure-is2rs-relaxed-energy-is2re-tasks" title="Link to this heading">#</a></h2>
+<p>For IS2RE / IS2RS training, validation and test sets, we provide precomputed LMDBs that can be directly used with dataloaders provided in our code. The LMDBs contain input initial structures and the output relaxed structures and energies. The dataset contains an in-domain test set and 4 out-of-domain test sets (ood-large, ood-linker, ood-topology, and ood-linker &amp; topology). All LMDBs are compressed into a single <code class="docutils literal notranslate"><span class="pre">.tar.gz</span></code> file.</p>
+<table class="table">
+<thead>
+<tr class="row-odd"><th class="head"><p>Splits</p></th>
+<th class="head"><p>Size of compressed version (in bytes)</p></th>
+<th class="head"><p>Size of uncompressed version (in bytes)</p></th>
+<th class="head"><p>MD5 checksum (download link)</p></th>
+</tr>
+</thead>
+<tbody>
+<tr class="row-even"><td><p>Train + Validation + Test (all splits)</p></td>
+<td><p>809M</p></td>
+<td><p>2.2G</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/dac/datasets/odac23_is2r.tar.gz">f7f2f58669a30abae8cb9ba1b7f2bcd2</a></p></td>
+</tr>
+<tr class="row-odd"><td><p></p></td>
+<td><p></p></td>
+<td><p></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</section>
+<section id="ddec-charges">
+<h2>DDEC Charges<a class="headerlink" href="#ddec-charges" title="Link to this heading">#</a></h2>
+<p>We provide DDEC charges computed for all MOFs in the ODAC23 dataset. A small number of MOFs (~2%) are missing these charges because the DDEC calcuations failed for them.</p>
+<table class="table">
+<thead>
+<tr class="row-odd"><th class="head"><p>Size of compressed version (in bytes)</p></th>
+<th class="head"><p>Size of uncompressed version (in bytes)</p></th>
+<th class="head"><p>MD5 checksum (download link)</p></th>
+</tr>
+</thead>
+<tbody>
+<tr class="row-even"><td><p>147M</p></td>
+<td><p>534M</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/dac/datasets/ddec.tar.gz">81927b78d9e4184cc3c398e79760126a</a></p></td>
+</tr>
+<tr class="row-odd"><td><p></p></td>
+<td><p></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+</section>
+<section id="citing-odac23">
+<h2>Citing ODAC23<a class="headerlink" href="#citing-odac23" title="Link to this heading">#</a></h2>
+<p>The OpenDAC 2023 (ODAC23) dataset is licensed under a <a class="reference external" href="https://creativecommons.org/licenses/by/4.0/legalcode">Creative Commons Attribution 4.0 License</a>.</p>
+<p>Please consider citing the following paper in any research manuscript using the ODAC23 dataset:</p>
+<div class="highlight-bibtex notranslate"><div class="highlight"><pre><span></span><span class="nc">@article</span><span class="p">{</span><span class="nl">odac23_dataset</span><span class="p">,</span>
+<span class="w">    </span><span class="na">author</span><span class="w"> </span><span class="p">=</span><span class="w"> </span><span class="s">{Anuroop Sriram and Sihoon Choi and Xiaohan Yu and Logan M. Brabson and Abhishek Das and Zachary Ulissi and Matt Uyttendaele and Andrew J. Medford and David S. Sholl}</span><span class="p">,</span>
+<span class="w">    </span><span class="na">title</span><span class="w"> </span><span class="p">=</span><span class="w"> </span><span class="s">{The Open DAC 2023 Dataset and Challenges for Sorbent Discovery in Direct Air Capture}</span><span class="p">,</span>
+<span class="w">    </span><span class="na">year</span><span class="w"> </span><span class="p">=</span><span class="w"> </span><span class="s">{2023}</span><span class="p">,</span>
+<span class="w">    </span><span class="na">journal</span><span class="p">=</span><span class="s">{arXiv preprint arXiv:2311.00341}</span><span class="p">,</span>
+<span class="p">}</span>
+</pre></div>
+</div>
+</section>
+</section>
+
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#structure-to-energy-and-forces-s2ef-task">Structure to Energy and Forces (S2EF) task</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#initial-structure-to-relaxed-structure-is2rs-relaxed-energy-is2re-tasks">Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE) tasks</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#ddec-charges">DDEC Charges</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#citing-odac23">Citing ODAC23</a></li>
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"oc20-reference-information"]], "Citing OC22": [[57, "citing-oc22"]], "Open Direct Air Capture 2023 (ODAC23)": [[57, "open-direct-air-capture-2023-odac23"], [62, "open-direct-air-capture-2023-odac23"]], "Initial Structure to Relaxed Structure (IS2RS) / Relaxed Energy (IS2RE) tasks": [[57, "initial-structure-to-relaxed-structure-is2rs-relaxed-energy-is2re-tasks"]], "DDEC Charges": [[57, "ddec-charges"]], "Citing ODAC23": [[57, "citing-odac23"]], "Per-adsorbate trajectories": [[58, "per-adsorbate-trajectories"]], "Frequently Asked Questions": [[59, "frequently-asked-questions"]], "Models": [[59, "models"], [77, "models"]], "Are predictions from OCP models deterministic?": [[59, "are-predictions-from-ocp-models-deterministic"]], "How do I train a model on OC20 total energies?": [[59, "how-do-i-train-a-model-on-oc20-total-energies"]], "I\u2019m trying to run GemNet-OC / GemNet-dT, but it throws an error that scaling factors are not fitted. What should I do?": [[59, "i-m-trying-to-run-gemnet-oc-gemnet-dt-but-it-throws-an-error-that-scaling-factors-are-not-fitted-what-should-i-do"]], "I\u2019m trying to run GemNet-OC on my data, but it errors out on sph_basis = self.spherical_basis(cos\u03c6_cab, \u03b8_cabd).": [[59, "i-m-trying-to-run-gemnet-oc-on-my-data-but-it-errors-out-on-sph-basis-self-spherical-basis-cos-cab-cabd"]], "Installation": [[60, "installation"], [63, "installation"]], "GPU machines": [[60, "gpu-machines"]], "CPU-only machines": [[60, "cpu-only-machines"]], "License": [[61, "license"], [63, "license"]], "Pretrained OCP models": [[62, "pretrained-ocp-models"]], "S2EF models: optimized for EFwT": [[62, "s2ef-models-optimized-for-efwt"]], "S2EF models: optimized for force only": [[62, "s2ef-models-optimized-for-force-only"]], "IS2RE models": [[62, "is2re-models"]], "S2EF-Total models": [[62, "s2ef-total-models"]], "S2EF models": [[62, "s2ef-models"]], "IS2RE Direct models": [[62, "is2re-direct-models"]], "IS2RS": [[62, "is2rs"]], "ocp by Open Catalyst Project": [[63, "ocp-by-open-catalyst-project"]], "Download data": [[63, "download-data"]], "Train and evaluate models": [[63, "train-and-evaluate-models"]], "Pretrained model weights": [[63, "pretrained-model-weights"]], "Discussion": [[63, "discussion"]], "Acknowledgements": [[63, "acknowledgements"]], "Citing ocp": [[63, "citing-ocp"]], "Training and evaluating models on OCP datasets": [[64, "training-and-evaluating-models-on-ocp-datasets"]], "Getting Started": [[64, "getting-started"]], "OC20": [[64, "oc20"]], "Initial Structure to Relaxed Energy prediction (IS2RE)": [[64, "initial-structure-to-relaxed-energy-prediction-is2re"]], "IS2RE Relaxations": [[64, "is2re-relaxations"]], "Structure to Energy and Forces (S2EF)": [[64, "structure-to-energy-and-forces-s2ef"]], "Training OC20 models with total energies (IS2RE/S2EF)": [[64, "training-oc20-models-with-total-energies-is2re-s2ef"]], "Overriding YAML config parameters from the command line": [[64, "overriding-yaml-config-parameters-from-the-command-line"]], "Initial Structure to Relaxed Structure (IS2RS)": [[64, "initial-structure-to-relaxed-structure-is2rs"]], "Create EvalAI OC20 submission files": [[64, "create-evalai-oc20-submission-files"]], "S2EF/IS2RE:": [[64, "s2ef-is2re"]], "IS2RS:": [[64, "is2rs"]], "OC22": [[64, "oc22"]], "Initial Structure to Total Relaxed Energy (IS2RE-Total)": [[64, "initial-structure-to-total-relaxed-energy-is2re-total"]], "Structure to Total Energy and Forces (S2EF-Total)": [[64, "structure-to-total-energy-and-forces-s2ef-total"]], "Joint Training": [[64, "joint-training"]], "Create EvalAI OC22 submission files": [[64, "create-evalai-oc22-submission-files"]], "S2EF-Total/IS2RE-Total:": [[64, "s2ef-total-is2re-total"]], "Using Your Own Data": [[64, "using-your-own-data"]], "Writing an LMDB": [[64, "writing-an-lmdb"]], "Using an ASE Database": [[64, "using-an-ase-database"]], "Using ASE-Readable Files": [[64, "using-ase-readable-files"]], "Single-Structure Files": [[64, "single-structure-files"]], "Multi-structure Files": [[64, "multi-structure-files"]], "Using OCP to enumerate adsorbates on catalyst surfaces": [[65, "using-ocp-to-enumerate-adsorbates-on-catalyst-surfaces"]], "Introduction": [[65, "introduction"], [66, "introduction"], [77, "introduction"]], "Enumerate the adsorbate-slab configurations to run relaxations on": [[65, "enumerate-the-adsorbate-slab-configurations-to-run-relaxations-on"], [66, "enumerate-the-adsorbate-slab-configurations-to-run-relaxations-on"]], "Work out a single example": [[65, "work-out-a-single-example"], [66, "work-out-a-single-example"]], "Run an ML relaxation": [[65, "run-an-ml-relaxation"], [66, "run-an-ml-relaxation"]], "Run all the systems": [[65, "run-all-the-systems"], [66, "run-all-the-systems"]], "Parse the trajectories and post-process": [[65, "parse-the-trajectories-and-post-process"], [66, "parse-the-trajectories-and-post-process"]], "Make parity plots for values obtained by ML v. reported in the paper": [[65, "make-parity-plots-for-values-obtained-by-ml-v-reported-in-the-paper"], [66, "make-parity-plots-for-values-obtained-by-ml-v-reported-in-the-paper"]], "Make figure 6b and compare to literature results": [[65, "make-figure-6b-and-compare-to-literature-results"], [66, "make-figure-6b-and-compare-to-literature-results"]], "Using OCP to enumerate adsorbates on alloy catalyst surfaces": [[66, "using-ocp-to-enumerate-adsorbates-on-alloy-catalyst-surfaces"]], "Next steps": [[66, "next-steps"], [68, "next-steps"], [75, "next-steps"]], "Screening catalysts with OCP": [[67, "screening-catalysts-with-ocp"]], "Introduction to using OCP in molecular simulations": [[68, "introduction-to-using-ocp-in-molecular-simulations"]], "Calculating adsorption energies": [[68, "calculating-adsorption-energies"]], "Exercises": [[68, "exercises"], [68, "id1"]], "Trends in adsorption energies across metals.": [[68, "trends-in-adsorption-energies-across-metals"]], "Site correlations": [[68, "site-correlations"]], "Convergence study": [[68, "convergence-study"]], "Effects of number of layers": [[68, "effects-of-number-of-layers"]], "Effects of relaxation": [[68, "effects-of-relaxation"]], "Unit cell size": [[68, "unit-cell-size"]], "Summary": [[68, "summary"]], "Advanced OCP usage": [[69, "advanced-ocp-usage"]], "Embedding monkeypatching": [[70, "embedding-monkeypatching"]], "Working with embeddings": [[71, "working-with-embeddings"]], "A diagnostic example": [[71, "a-diagnostic-example"]], "Bulk Cu equation of state example": [[71, "bulk-cu-equation-of-state-example"]], "A clustering example": [[71, "a-clustering-example"]], "Clustering individual atoms": [[71, "clustering-individual-atoms"]], "A simple vector search example": [[71, "a-simple-vector-search-example"]], "Fine-tuning with Python": [[72, "fine-tuning-with-python"]], "Split the data into train, test, val sets": [[72, "split-the-data-into-train-test-val-sets"]], "Setup the training code": [[72, "setup-the-training-code"]], "Setup the training task": [[72, "setup-the-training-task"]], "Run the training task": [[72, "run-the-training-task"]], "Advanced example: Fine-tuning": [[73, "advanced-example-fine-tuning"]], "Mass inference": [[74, "mass-inference"]], "The ASE calculator way": [[74, "the-ase-calculator-way"]], "Comparing ASE calculator and main.py": [[74, "comparing-ase-calculator-and-main-py"]], "Fine tuning a model": [[75, "fine-tuning-a-model"]], "Fine tuning the checkpoint": [[75, "fine-tuning-the-checkpoint"]], "Make the train, test, val splits": [[75, "make-the-train-test-val-splits"]], "Setting up the configuration yaml file": [[75, "setting-up-the-configuration-yaml-file"]], "Running the training job": [[75, "running-the-training-job"]], "Common gotchas with OCP": [[76, "common-gotchas-with-ocp"]], "OutOfMemoryError": [[76, "outofmemoryerror"]], "I want the energy of a gas phase atom": [[76, "i-want-the-energy-of-a-gas-phase-atom"]], "I get wildly different energies from the different models": [[76, "i-get-wildly-different-energies-from-the-different-models"]], "Miscellaneous warnings": [[76, "miscellaneous-warnings"]], "Unrecognized arguments": [[76, "unrecognized-arguments"]], "Unable to identify OCP trainer": [[76, "unable-to-identify-ocp-trainer"]], "Request entity too large - can\u2019t save your Notebook": [[76, "request-entity-too-large-can-t-save-your-notebook"]], "You need at least four atoms for molecules with some models": [[76, "you-need-at-least-four-atoms-for-molecules-with-some-models"]], "To tag or not?": [[76, "to-tag-or-not"]], "Stochastic simulation results": [[76, "stochastic-simulation-results"]], "The forces don\u2019t sum to zero": [[76, "the-forces-don-t-sum-to-zero"]], "Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations": [[77, "utilizing-large-graph-based-pre-trained-machine-learned-potentials-in-atomistic-simulations"]], "Abstract": [[77, "abstract"]], "Datasets / Tasks": [[77, "datasets-tasks"]], "Checkpoints": [[77, "checkpoints"]], "Goals for this tutorial": [[77, "goals-for-this-tutorial"]], "About the compute environment": [[77, "about-the-compute-environment"]], "ASE-compatible calculator for OCP": [[78, "ase-compatible-calculator-for-ocp"]], "Convenience functions for getting ocp paths": [[79, "convenience-functions-for-getting-ocp-paths"]], "Convenience function for getting checkpoints": [[79, "convenience-function-for-getting-checkpoints"]], "Train/test/val split for an ase db": [[79, "train-test-val-split-for-an-ase-db"]], "Generating a config from a checkpoint": [[79, "generating-a-config-from-a-checkpoint"]]}, "indexentries": {"module": [[0, "module-ocpmodels"], [1, "module-ocpmodels.common"], [2, "module-ocpmodels.common.distutils"], [3, "module-ocpmodels.common.flags"], [4, 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\ No newline at end of file
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scaling factors are not fitted. What should I do?": [[57, "i-m-trying-to-run-gemnet-oc-gemnet-dt-but-it-throws-an-error-that-scaling-factors-are-not-fitted-what-should-i-do"]], "I\u2019m trying to run GemNet-OC on my data, but it errors out on sph_basis = self.spherical_basis(cos\u03c6_cab, \u03b8_cabd).": [[57, "i-m-trying-to-run-gemnet-oc-on-my-data-but-it-errors-out-on-sph-basis-self-spherical-basis-cos-cab-cabd"]], "Installation": [[58, "installation"], [61, "installation"]], "GPU machines": [[58, "gpu-machines"]], "CPU-only machines": [[58, "cpu-only-machines"]], "License": [[59, "license"], [61, "license"]], "Pretrained OCP models": [[60, "pretrained-ocp-models"]], "Open Catalyst 2020 (OC20)": [[60, "open-catalyst-2020-oc20"], [63, "open-catalyst-2020-oc20"]], "S2EF models: optimized for EFwT": [[60, "s2ef-models-optimized-for-efwt"]], "S2EF models: optimized for force only": [[60, "s2ef-models-optimized-for-force-only"]], "IS2RE models": [[60, "is2re-models"]], "Open Catalyst 2022 (OC22)": [[60, "open-catalyst-2022-oc22"], [64, "open-catalyst-2022-oc22"]], "S2EF-Total models": [[60, "s2ef-total-models"]], "Open Direct Air Capture 2023 (ODAC23)": [[60, "open-direct-air-capture-2023-odac23"], [65, "open-direct-air-capture-2023-odac23"]], "S2EF models": [[60, "s2ef-models"]], "IS2RE Direct models": [[60, "is2re-direct-models"]], "IS2RS": [[60, "is2rs"]], "ocp by Open Catalyst Project": [[61, "ocp-by-open-catalyst-project"]], "Download data": [[61, "download-data"]], "Train and evaluate models": [[61, "train-and-evaluate-models"]], "Pretrained model weights": [[61, "pretrained-model-weights"]], "Discussion": [[61, "discussion"]], "Acknowledgements": [[61, "acknowledgements"]], "Citing ocp": [[61, "citing-ocp"]], "Training and evaluating models on OCP datasets": [[62, "training-and-evaluating-models-on-ocp-datasets"]], "Getting Started": [[62, "getting-started"]], "OC20": [[62, "oc20"]], "Initial Structure to Relaxed Energy prediction (IS2RE)": [[62, "initial-structure-to-relaxed-energy-prediction-is2re"]], "IS2RE Relaxations": [[62, "is2re-relaxations"]], "Structure to Energy and Forces (S2EF)": [[62, "structure-to-energy-and-forces-s2ef"]], "Training OC20 models with total energies (IS2RE/S2EF)": [[62, "training-oc20-models-with-total-energies-is2re-s2ef"]], "Overriding YAML config parameters from the command line": [[62, "overriding-yaml-config-parameters-from-the-command-line"]], "Initial Structure to Relaxed Structure (IS2RS)": [[62, "initial-structure-to-relaxed-structure-is2rs"]], "Create EvalAI OC20 submission files": [[62, "create-evalai-oc20-submission-files"]], "S2EF/IS2RE:": [[62, "s2ef-is2re"]], "IS2RS:": [[62, "is2rs"]], "OC22": [[62, "oc22"]], "Initial Structure to Total Relaxed Energy (IS2RE-Total)": [[62, "initial-structure-to-total-relaxed-energy-is2re-total"]], "Structure to Total Energy and Forces (S2EF-Total)": [[62, "structure-to-total-energy-and-forces-s2ef-total"]], "Joint Training": [[62, 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"relaxation-trajectories"], [64, "relaxation-trajectories"]], "Adsorbate+catalyst system trajectories (optional download)": [[63, "adsorbate-catalyst-system-trajectories-optional-download"]], "Per-adsorbate trajectories (optional download)": [[63, "per-adsorbate-trajectories-optional-download"]], "Catalyst system trajectories (optional download)": [[63, "catalyst-system-trajectories-optional-download"]], "Bader charge data": [[63, "bader-charge-data"]], "OC20 mappings": [[63, "oc20-mappings"]], "Data mapping information": [[63, "data-mapping-information"], [64, "data-mapping-information"]], "Adsorbate-catalyst system to catalyst system mapping information": [[63, "adsorbate-catalyst-system-to-catalyst-system-mapping-information"]], "Dataset changelog": [[63, "dataset-changelog"]], "September 2021": [[63, "september-2021"]], "March 2021": [[63, "march-2021"]], "Version 2, Feb 2021": [[63, "version-2-feb-2021"]], "Version 1, Oct 2020": [[63, "version-1-oct-2020"]], "Citing OC20": [[63, 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"make-parity-plots-for-values-obtained-by-ml-v-reported-in-the-paper"]], "Make figure 6b and compare to literature results": [[66, "make-figure-6b-and-compare-to-literature-results"], [67, "make-figure-6b-and-compare-to-literature-results"]], "Using OCP to enumerate adsorbates on alloy catalyst surfaces": [[67, "using-ocp-to-enumerate-adsorbates-on-alloy-catalyst-surfaces"]], "Next steps": [[67, "next-steps"], [69, "next-steps"], [76, "next-steps"]], "Screening catalysts with OCP": [[68, "screening-catalysts-with-ocp"]], "Introduction to using OCP in molecular simulations": [[69, "introduction-to-using-ocp-in-molecular-simulations"]], "Calculating adsorption energies": [[69, "calculating-adsorption-energies"]], "Exercises": [[69, "exercises"], [69, "id1"]], "Trends in adsorption energies across metals.": [[69, "trends-in-adsorption-energies-across-metals"]], "Site correlations": [[69, "site-correlations"]], "Convergence study": [[69, "convergence-study"]], "Effects of number of layers": [[69, "effects-of-number-of-layers"]], "Effects of relaxation": [[69, "effects-of-relaxation"]], "Unit cell size": [[69, "unit-cell-size"]], "Summary": [[69, "summary"]], "Advanced OCP usage": [[70, "advanced-ocp-usage"]], "Embedding monkeypatching": [[71, "embedding-monkeypatching"]], "Working with embeddings": [[72, "working-with-embeddings"]], "A diagnostic example": [[72, "a-diagnostic-example"]], "Bulk Cu equation of state example": [[72, "bulk-cu-equation-of-state-example"]], "A clustering example": [[72, "a-clustering-example"]], "Clustering individual atoms": [[72, "clustering-individual-atoms"]], "A simple vector search example": [[72, "a-simple-vector-search-example"]], "Fine-tuning with Python": [[73, "fine-tuning-with-python"]], "Split the data into train, test, val sets": [[73, "split-the-data-into-train-test-val-sets"]], "Setup the training code": [[73, "setup-the-training-code"]], "Setup the training task": [[73, "setup-the-training-task"]], "Run the training task": [[73, "run-the-training-task"]], "Advanced example: Fine-tuning": [[74, "advanced-example-fine-tuning"]], "Mass inference": [[75, "mass-inference"]], "The ASE calculator way": [[75, "the-ase-calculator-way"]], "Comparing ASE calculator and main.py": [[75, "comparing-ase-calculator-and-main-py"]], "Fine tuning a model": [[76, "fine-tuning-a-model"]], "Fine tuning the checkpoint": [[76, "fine-tuning-the-checkpoint"]], "Make the train, test, val splits": [[76, "make-the-train-test-val-splits"]], "Setting up the configuration yaml file": [[76, "setting-up-the-configuration-yaml-file"]], "Running the training job": [[76, "running-the-training-job"]], "Common gotchas with OCP": [[77, "common-gotchas-with-ocp"]], "OutOfMemoryError": [[77, "outofmemoryerror"]], "I want the energy of a gas phase atom": [[77, "i-want-the-energy-of-a-gas-phase-atom"]], "I get wildly different energies from the different models": [[77, "i-get-wildly-different-energies-from-the-different-models"]], "Miscellaneous warnings": [[77, "miscellaneous-warnings"]], "Unrecognized arguments": [[77, "unrecognized-arguments"]], "Unable to identify OCP trainer": [[77, "unable-to-identify-ocp-trainer"]], "Request entity too large - can\u2019t save your Notebook": [[77, "request-entity-too-large-can-t-save-your-notebook"]], "You need at least four atoms for molecules with some models": [[77, "you-need-at-least-four-atoms-for-molecules-with-some-models"]], "To tag or not?": [[77, "to-tag-or-not"]], "Stochastic simulation results": [[77, "stochastic-simulation-results"]], "The forces don\u2019t sum to zero": [[77, "the-forces-don-t-sum-to-zero"]], "Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations": [[78, "utilizing-large-graph-based-pre-trained-machine-learned-potentials-in-atomistic-simulations"]], "Abstract": [[78, "abstract"]], "Datasets / Tasks": [[78, "datasets-tasks"]], "Checkpoints": [[78, "checkpoints"]], "Goals for this tutorial": [[78, "goals-for-this-tutorial"]], "About the compute environment": [[78, "about-the-compute-environment"]], "ASE-compatible calculator for OCP": [[79, "ase-compatible-calculator-for-ocp"]], "Convenience functions for getting ocp paths": [[80, "convenience-functions-for-getting-ocp-paths"]], "Convenience function for getting checkpoints": [[80, "convenience-function-for-getting-checkpoints"]], "Train/test/val split for an ase db": [[80, "train-test-val-split-for-an-ase-db"]], "Generating a config from a checkpoint": [[80, "generating-a-config-from-a-checkpoint"]]}, "indexentries": {"module": [[0, "module-ocpmodels"], [1, "module-ocpmodels.common"], [2, "module-ocpmodels.common.distutils"], [3, "module-ocpmodels.common.flags"], [4, "module-ocpmodels.common.gp_utils"], [5, "module-ocpmodels.common.registry"], [6, "module-ocpmodels.common.relaxation"], [7, "module-ocpmodels.common.relaxation.optimizers"], [8, "module-ocpmodels.common.typing"], [9, "module-ocpmodels.models"], [10, 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\ No newline at end of file
diff --git a/tutorial/NRR/NRR_example-gemnet.html b/tutorial/NRR/NRR_example-gemnet.html
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@@ -176,43 +176,52 @@
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 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../../core/DATASET.html">Open Catalyst datasets</a></li>
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 <li class="toctree-l1"><a class="reference internal" href="../../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
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-<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="current nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
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 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../../core/DATASET.html">Open Catalyst datasets</a></li>
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-<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
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-<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="current nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
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 <li class="toctree-l1 has-children"><a class="reference internal" href="../advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l1"><a class="reference internal" href="../../core/DATASET.html">Open Catalyst datasets</a></li>
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-<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
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-<ul class="current nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="current nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
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 <li class="toctree-l1 has-children"><a class="reference internal" href="../advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
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-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
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-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="current nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1 current active"><a class="current reference internal" href="#">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="current nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1 current active"><a class="current reference internal" href="#">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
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 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../../core/DATASET.html">Open Catalyst datasets</a></li>
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+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
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-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
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 <li class="toctree-l1 has-children"><a class="reference internal" href="fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
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 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../../core/DATASET.html">Open Catalyst datasets</a></li>
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-<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
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-<ul class="current nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="current nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 current active has-children"><a class="reference internal" href="fine-tuning-toc.html">Advanced example: Fine-tuning</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="current nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="current nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 current active has-children"><a class="reference internal" href="fine-tuning-toc.html">Advanced example: Fine-tuning</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
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                 </a>
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
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 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="current nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="current nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 current active has-children"><a class="reference internal" href="fine-tuning-toc.html">Advanced example: Fine-tuning</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
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-    <link rel="prev" title="Common gotchas with OCP" href="../gotchas.html" />
+    <link rel="prev" title="Fine tuning a model" href="../fine-tuning/fine-tuning-oxides.html" />
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 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="current nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="current nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 current active has-children"><a class="current reference internal" href="#">Advanced example: Fine-tuning</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
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+       href="../fine-tuning/fine-tuning-oxides.html"
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+        <p class="prev-next-title">Fine tuning a model</p>
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diff --git a/tutorial/advanced/mass-inference.html b/tutorial/advanced/mass-inference.html
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                 </a>
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="current nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="current nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 current active has-children"><a class="reference internal" href="fine-tuning-toc.html">Advanced example: Fine-tuning</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
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-    <link rel="next" title="Common gotchas with OCP" href="../gotchas.html" />
+    <link rel="next" title="Advanced example: Fine-tuning" href="../advanced/fine-tuning-toc.html" />
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@@ -176,43 +176,52 @@
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../../core/DATASET.html">Open Catalyst datasets</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="current nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1 current active"><a class="current reference internal" href="#">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="current nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1 current active"><a class="current reference internal" href="#">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
@@ -892,11 +901,11 @@ <h1>Next steps<a class="headerlink" href="#next-steps" title="Link to this headi
       </div>
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     <a class="right-next"
-       href="../gotchas.html"
+       href="../advanced/fine-tuning-toc.html"
        title="next page">
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+        <p class="prev-next-title">Advanced example: Fine-tuning</p>
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diff --git a/tutorial/gotchas.html b/tutorial/gotchas.html
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-    <link rel="prev" title="Fine tuning a model" href="fine-tuning/fine-tuning-oxides.html" />
+    <link rel="next" title="Utilizing large, graph-based, pre-trained machine learned potentials in atomistic simulations" href="intro.html" />
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
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 <li class="toctree-l1"><a class="reference internal" href="../core/INSTALL.html">Installation</a></li>
-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="current nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
-</ul>
-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
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-<li class="toctree-l1"><a class="reference internal" href="intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1 current active"><a class="current reference internal" href="#">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1 current active"><a class="current reference internal" href="#">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
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 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
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+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
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-<ul class="current nav bd-sidenav">
-<li class="toctree-l1 current active"><a class="current reference internal" href="#">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="current nav bd-sidenav">
+<li class="toctree-l1 current active"><a class="current reference internal" href="#">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
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@@ -617,12 +626,12 @@ <h1>About the compute environment<a class="headerlink" href="#about-the-compute-
                   
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+        <p class="prev-next-title">Common gotchas with OCP</p>
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diff --git a/tutorial/ocp-modules/ase-calculator.html b/tutorial/ocp-modules/ase-calculator.html
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation</span></p>
 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../../core/DATASET.html">Open Catalyst datasets</a></li>
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+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
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-<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
-<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="../gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="../fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
 <li class="toctree-l1 has-children"><a class="reference internal" href="../advanced/fine-tuning-toc.html">Advanced example: Fine-tuning</a><input class="toctree-checkbox" id="toctree-checkbox-1" name="toctree-checkbox-1" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-1"><i class="fa-solid fa-chevron-down"></i></label><ul>
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Core Installation/Usage</span></p>
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 <ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="../core/DATASET.html">Open Catalyst datasets</a></li>
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-<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc20.html">Open Catalyst 2020 (OC20)</a></li>
+
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/oc22.html">Open Catalyst 2022 (OC22)</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/datasets/odac.html">Open Direct Air Capture 2023 (ODAC23)</a></li>
 <li class="toctree-l1"><a class="reference internal" href="../core/MODELS.html">Pretrained OCP models</a></li>
 
 
+<li class="toctree-l1"><a class="reference internal" href="../core/LICENSE.html">License</a></li>
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Training your own models</span></p>
+<ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../core/TRAIN.html">Training and evaluating models on OCP datasets</a></li>
 
 
 
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-<p aria-level="2" class="caption" role="heading"><span class="caption-text">Tutorial</span></p>
-<ul class="nav bd-sidenav">
-<li class="toctree-l1"><a class="reference internal" href="intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
+<li class="toctree-l1"><a class="reference internal" href="../core/FAQ.html">Frequently Asked Questions</a></li>
+<li class="toctree-l1"><a class="reference internal" href="gotchas.html">Common gotchas with OCP</a></li>
 
 
 
 
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-<li class="toctree-l1"><a class="reference internal" href="fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
+</ul>
+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Catalysis Tutorials</span></p>
+<ul class="nav bd-sidenav">
+<li class="toctree-l1"><a class="reference internal" href="intro.html">Utilizing large, graph-based, pre-trained  machine learned potentials in atomistic simulations</a></li>
 
-<li class="toctree-l1"><a class="reference internal" href="gotchas.html">Common gotchas with OCP</a></li>
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="OCP-introduction.html">Introduction to using OCP in molecular simulations</a></li>
 
 
 
 
+<li class="toctree-l1"><a class="reference internal" href="fine-tuning/fine-tuning-oxides.html">Fine tuning a model</a></li>
 
 
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