From 82ff9ea0f96be8436305ac5163575847e6f0d738 Mon Sep 17 00:00:00 2001
From: zulissimeta <zulissimeta@users.noreply.github.com>
Date: Thu, 11 Apr 2024 17:44:13 +0000
Subject: [PATCH] deploy: e3570914ff615939c399ae384ce57670a73935e1

---
 _sources/autoapi/ocpmodels/common/index.rst   |   1 -
 .../ocpmodels/common/model_registry/index.rst |  34 -
 _sources/autoapi/ocpmodels/models/index.rst   |  39 +
 .../ocpmodels/models/model_registry/index.rst |  49 ++
 _sources/core/INSTALL.md                      |  22 +-
 _sources/core/QUICKSTART.md                   |  55 ++
 _sources/core/datasets/oc20.md                | 158 ++--
 _sources/tutorials/NRR/NRR_example.md         |   2 +-
 _sources/tutorials/OCP-introduction.md        |   2 +-
 _sources/tutorials/advanced/mass-inference.md |   6 +-
 .../fine-tuning/fine-tuning-oxides.md         |   2 +-
 _sources/tutorials/intro.md                   |  20 +-
 autoapi/index.html                            |   8 +-
 .../ocpmodels/common/data_parallel/index.html |   6 +-
 autoapi/ocpmodels/common/distutils/index.html |   6 +-
 autoapi/ocpmodels/common/flags/index.html     |   6 +-
 autoapi/ocpmodels/common/gp_utils/index.html  |   6 +-
 autoapi/ocpmodels/common/hpo_utils/index.html |   6 +-
 autoapi/ocpmodels/common/index.html           |   7 +-
 autoapi/ocpmodels/common/logger/index.html    |  12 +-
 autoapi/ocpmodels/common/registry/index.html  |  12 +-
 .../common/relaxation/ase_utils/index.html    |   6 +-
 .../ocpmodels/common/relaxation/index.html    |   6 +-
 .../relaxation/ml_relaxation/index.html       |   6 +-
 .../common/relaxation/optimizers/index.html   |   6 +-
 .../optimizers/lbfgs_torch/index.html         |   6 +-
 .../ocpmodels/common/transforms/index.html    |   6 +-
 .../common/tutorial_utils/index.html          |   6 +-
 autoapi/ocpmodels/common/typing/index.html    |   6 +-
 autoapi/ocpmodels/common/utils/index.html     |   6 +-
 autoapi/ocpmodels/datasets/_utils/index.html  |   6 +-
 .../datasets/ase_datasets/index.html          |   6 +-
 .../embeddings/atomic_radii/index.html        |   6 +-
 .../continuous_embeddings/index.html          |   6 +-
 .../ocpmodels/datasets/embeddings/index.html  |   6 +-
 .../embeddings/khot_embeddings/index.html     |   6 +-
 .../qmof_khot_embeddings/index.html           |   6 +-
 autoapi/ocpmodels/datasets/index.html         |   6 +-
 .../datasets/lmdb_database/index.html         |   6 +-
 .../datasets/lmdb_dataset/index.html          |   6 +-
 .../datasets/oc22_lmdb_dataset/index.html     |   6 +-
 .../target_metadata_guesser/index.html        |   6 +-
 autoapi/ocpmodels/index.html                  |   8 +-
 autoapi/ocpmodels/models/base/index.html      |   6 +-
 .../models/dimenet_plus_plus/index.html       |  12 +-
 .../equiformer_v2/activation/index.html       |   6 +-
 .../models/equiformer_v2/drop/index.html      |   6 +-
 .../equiformer_v2/edge_rot_mat/index.html     |   6 +-
 .../equiformer_v2_oc20/index.html             |   6 +-
 .../equiformer_v2/gaussian_rbf/index.html     |   6 +-
 .../ocpmodels/models/equiformer_v2/index.html |   6 +-
 .../equiformer_v2/input_block/index.html      |   6 +-
 .../equiformer_v2/layer_norm/index.html       |   6 +-
 .../equiformer_v2/module_list/index.html      |   6 +-
 .../equiformer_v2/radial_function/index.html  |   6 +-
 .../models/equiformer_v2/so2_ops/index.html   |   6 +-
 .../models/equiformer_v2/so3/index.html       |   6 +-
 .../trainers/energy_trainer/index.html        |   6 +-
 .../trainers/forces_trainer/index.html        |   6 +-
 .../models/equiformer_v2/trainers/index.html  |   6 +-
 .../trainers/lr_scheduler/index.html          |   6 +-
 .../transformer_block/index.html              |   6 +-
 .../models/equiformer_v2/wigner/index.html    |   6 +-
 autoapi/ocpmodels/models/escn/escn/index.html |   6 +-
 autoapi/ocpmodels/models/escn/index.html      |   6 +-
 autoapi/ocpmodels/models/escn/so3/index.html  |   6 +-
 .../ocpmodels/models/gemnet/gemnet/index.html |   6 +-
 autoapi/ocpmodels/models/gemnet/index.html    |   6 +-
 .../models/gemnet/initializers/index.html     |   6 +-
 .../layers/atom_update_block/index.html       |   6 +-
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 .../models/gemnet/layers/efficient/index.html |   6 +-
 .../gemnet/layers/embedding_block/index.html  |   6 +-
 .../ocpmodels/models/gemnet/layers/index.html |   6 +-
 .../layers/interaction_block/index.html       |   6 +-
 .../gemnet/layers/radial_basis/index.html     |   6 +-
 .../gemnet/layers/spherical_basis/index.html  |   6 +-
 .../ocpmodels/models/gemnet/utils/index.html  |   6 +-
 .../models/gemnet_gp/gemnet/index.html        |   6 +-
 autoapi/ocpmodels/models/gemnet_gp/index.html |   6 +-
 .../models/gemnet_gp/initializers/index.html  |   6 +-
 .../layers/atom_update_block/index.html       |   6 +-
 .../gemnet_gp/layers/base_layers/index.html   |   6 +-
 .../gemnet_gp/layers/basis_utils/index.html   |   6 +-
 .../gemnet_gp/layers/efficient/index.html     |   6 +-
 .../layers/embedding_block/index.html         |   6 +-
 .../models/gemnet_gp/layers/index.html        |   6 +-
 .../layers/interaction_block/index.html       |   6 +-
 .../gemnet_gp/layers/radial_basis/index.html  |   6 +-
 .../layers/spherical_basis/index.html         |   6 +-
 .../models/gemnet_gp/utils/index.html         |   6 +-
 .../models/gemnet_oc/gemnet_oc/index.html     |   6 +-
 autoapi/ocpmodels/models/gemnet_oc/index.html |   6 +-
 .../models/gemnet_oc/initializers/index.html  |   6 +-
 .../gemnet_oc/interaction_indices/index.html  |   6 +-
 .../layers/atom_update_block/index.html       |   6 +-
 .../gemnet_oc/layers/base_layers/index.html   |   6 +-
 .../gemnet_oc/layers/basis_utils/index.html   |   6 +-
 .../gemnet_oc/layers/efficient/index.html     |   6 +-
 .../layers/embedding_block/index.html         |   6 +-
 .../gemnet_oc/layers/force_scaler/index.html  |   6 +-
 .../models/gemnet_oc/layers/index.html        |   6 +-
 .../layers/interaction_block/index.html       |   6 +-
 .../gemnet_oc/layers/radial_basis/index.html  |   6 +-
 .../layers/spherical_basis/index.html         |   6 +-
 .../models/gemnet_oc/utils/index.html         |   6 +-
 autoapi/ocpmodels/models/index.html           |  68 +-
 .../model_registry/index.html                 | 128 ++--
 autoapi/ocpmodels/models/painn/index.html     |   6 +-
 .../ocpmodels/models/painn/painn/index.html   |   6 +-
 .../ocpmodels/models/painn/utils/index.html   |   6 +-
 autoapi/ocpmodels/models/schnet/index.html    |  12 +-
 autoapi/ocpmodels/models/scn/index.html       |   6 +-
 .../ocpmodels/models/scn/sampling/index.html  |   6 +-
 autoapi/ocpmodels/models/scn/scn/index.html   |   6 +-
 .../ocpmodels/models/scn/smearing/index.html  |   6 +-
 .../models/scn/spherical_harmonics/index.html |   6 +-
 .../models/utils/activations/index.html       |   6 +-
 .../ocpmodels/models/utils/basis/index.html   |   6 +-
 autoapi/ocpmodels/models/utils/index.html     |   6 +-
 .../ocpmodels/modules/evaluator/index.html    |   6 +-
 .../exponential_moving_average/index.html     |   6 +-
 autoapi/ocpmodels/modules/index.html          |   6 +-
 autoapi/ocpmodels/modules/loss/index.html     |   6 +-
 .../ocpmodels/modules/normalizer/index.html   |   6 +-
 .../modules/scaling/compat/index.html         |   6 +-
 .../ocpmodels/modules/scaling/fit/index.html  |   6 +-
 autoapi/ocpmodels/modules/scaling/index.html  |   6 +-
 .../modules/scaling/scale_factor/index.html   |   6 +-
 .../ocpmodels/modules/scaling/util/index.html |   6 +-
 .../ocpmodels/modules/scheduler/index.html    |   6 +-
 .../ocpmodels/modules/transforms/index.html   |   6 +-
 .../preprocessing/atoms_to_graphs/index.html  |   6 +-
 autoapi/ocpmodels/preprocessing/index.html    |   6 +-
 autoapi/ocpmodels/tasks/index.html            |   6 +-
 autoapi/ocpmodels/tasks/task/index.html       |   6 +-
 .../trainers/base_trainer/index.html          |   6 +-
 autoapi/ocpmodels/trainers/index.html         |   6 +-
 .../ocpmodels/trainers/ocp_trainer/index.html |   6 +-
 core/FAQ.html                                 |   6 +-
 core/INSTALL.html                             |  53 +-
 core/LICENSE.html                             |  12 +-
 core/MODELS.html                              |   6 +-
 core/QUICKSTART.html                          | 719 ++++++++++++++++++
 core/TRAIN.html                               |   6 +-
 core/datasets/oc20.html                       | 237 ++----
 core/datasets/oc22.html                       |   6 +-
 core/datasets/odac.html                       |   6 +-
 execution_time.html                           |   6 +-
 genindex.html                                 |  46 +-
 index.html                                    |   6 +-
 legacy_tutorials/OCP_Tutorial.html            |   6 +-
 legacy_tutorials/data_preprocessing.html      |   6 +-
 legacy_tutorials/data_visualization.html      |   6 +-
 legacy_tutorials/legacy_tutorials.html        |   6 +-
 legacy_tutorials/lmdb_dataset_creation.html   |   6 +-
 objects.inv                                   | Bin 11958 -> 12057 bytes
 py-modindex.html                              |  16 +-
 search.html                                   |   6 +-
 searchindex.js                                |   2 +-
 tutorials/NRR/NRR_example-gemnet.html         |   6 +-
 tutorials/NRR/NRR_example.html                |   8 +-
 tutorials/NRR/NRR_toc.html                    |   6 +-
 tutorials/OCP-introduction.html               |   8 +-
 tutorials/advanced/advanced_toc.html          |   6 +-
 tutorials/advanced/embeddings.html            |   6 +-
 tutorials/advanced/fine-tuning-in-python.html |   6 +-
 tutorials/advanced/fine-tuning-toc.html       |   6 +-
 tutorials/advanced/mass-inference.html        |  12 +-
 tutorials/fine-tuning/fine-tuning-oxides.html |   8 +-
 tutorials/gotchas.html                        |   6 +-
 tutorials/intro.html                          |  36 +-
 videos/intro_series.html                      |   6 +-
 videos/technical_talks.html                   |   6 +-
 175 files changed, 1930 insertions(+), 730 deletions(-)
 delete mode 100644 _sources/autoapi/ocpmodels/common/model_registry/index.rst
 create mode 100644 _sources/autoapi/ocpmodels/models/model_registry/index.rst
 create mode 100644 _sources/core/QUICKSTART.md
 rename autoapi/ocpmodels/{common => models}/model_registry/index.html (78%)
 create mode 100644 core/QUICKSTART.html

diff --git a/_sources/autoapi/ocpmodels/common/index.rst b/_sources/autoapi/ocpmodels/common/index.rst
index 20d96be2c..df4749a65 100644
--- a/_sources/autoapi/ocpmodels/common/index.rst
+++ b/_sources/autoapi/ocpmodels/common/index.rst
@@ -33,7 +33,6 @@ Submodules
    gp_utils/index.rst
    hpo_utils/index.rst
    logger/index.rst
-   model_registry/index.rst
    registry/index.rst
    transforms/index.rst
    tutorial_utils/index.rst
diff --git a/_sources/autoapi/ocpmodels/common/model_registry/index.rst b/_sources/autoapi/ocpmodels/common/model_registry/index.rst
deleted file mode 100644
index f6efc71c4..000000000
--- a/_sources/autoapi/ocpmodels/common/model_registry/index.rst
+++ /dev/null
@@ -1,34 +0,0 @@
-:py:mod:`ocpmodels.common.model_registry`
-=========================================
-
-.. py:module:: ocpmodels.common.model_registry
-
-
-Module Contents
----------------
-
-
-Functions
-~~~~~~~~~
-
-.. autoapisummary::
-
-   ocpmodels.common.model_registry.model_name_to_local_file
-
-
-
-Attributes
-~~~~~~~~~~
-
-.. autoapisummary::
-
-   ocpmodels.common.model_registry.MODEL_REGISTRY
-
-
-.. py:data:: MODEL_REGISTRY
-
-   
-
-.. py:function:: model_name_to_local_file(model_name: str, local_cache: str) -> str | None
-
-
diff --git a/_sources/autoapi/ocpmodels/models/index.rst b/_sources/autoapi/ocpmodels/models/index.rst
index 51c7291ea..d2c6d2d40 100644
--- a/_sources/autoapi/ocpmodels/models/index.rst
+++ b/_sources/autoapi/ocpmodels/models/index.rst
@@ -28,6 +28,45 @@ Submodules
 
    base/index.rst
    dimenet_plus_plus/index.rst
+   model_registry/index.rst
    schnet/index.rst
 
 
+Package Contents
+----------------
+
+
+Functions
+~~~~~~~~~
+
+.. autoapisummary::
+
+   ocpmodels.models.model_name_to_local_file
+
+
+
+Attributes
+~~~~~~~~~~
+
+.. autoapisummary::
+
+   ocpmodels.models.available_pretrained_models
+
+
+.. py:data:: available_pretrained_models
+
+   
+
+.. py:function:: model_name_to_local_file(model_name: str, local_cache: str | pathlib.Path) -> str
+
+   Download a pretrained checkpoint if it does not exist already
+
+   :param model_name: the model name. See available_pretrained_checkpoints.
+   :type model_name: str
+   :param local_cache:
+   :type local_cache: str
+
+   Returns:
+
+
+
diff --git a/_sources/autoapi/ocpmodels/models/model_registry/index.rst b/_sources/autoapi/ocpmodels/models/model_registry/index.rst
new file mode 100644
index 000000000..3ddf1db32
--- /dev/null
+++ b/_sources/autoapi/ocpmodels/models/model_registry/index.rst
@@ -0,0 +1,49 @@
+:py:mod:`ocpmodels.models.model_registry`
+=========================================
+
+.. py:module:: ocpmodels.models.model_registry
+
+
+Module Contents
+---------------
+
+
+Functions
+~~~~~~~~~
+
+.. autoapisummary::
+
+   ocpmodels.models.model_registry.model_name_to_local_file
+
+
+
+Attributes
+~~~~~~~~~~
+
+.. autoapisummary::
+
+   ocpmodels.models.model_registry.MODEL_REGISTRY
+   ocpmodels.models.model_registry.available_pretrained_models
+
+
+.. py:data:: MODEL_REGISTRY
+
+   
+
+.. py:data:: available_pretrained_models
+
+   
+
+.. py:function:: model_name_to_local_file(model_name: str, local_cache: str | pathlib.Path) -> str
+
+   Download a pretrained checkpoint if it does not exist already
+
+   :param model_name: the model name. See available_pretrained_checkpoints.
+   :type model_name: str
+   :param local_cache:
+   :type local_cache: str
+
+   Returns:
+
+
+
diff --git a/_sources/core/INSTALL.md b/_sources/core/INSTALL.md
index 04df9863f..9602f5e95 100644
--- a/_sources/core/INSTALL.md
+++ b/_sources/core/INSTALL.md
@@ -1,4 +1,24 @@
-## Installation
+# Installation
+
+## pip (fast, easy to get started)
+
+Installing the OCP package and necessary dependencies is now as easy as:
+
+(GPU)
+```
+pip install torch==1.13.1+cu117 torchvision==0.14.1+cu117 torchaudio==0.13.1 --extra-index-url https://download.pytorch.org/whl/cu117
+pip install pyg_lib torch_scatter torch_sparse -f https://data.pyg.org/whl/torch-1.13.1+cu117.html
+pip install -i https://test.pypi.org/simple/ ocp-models
+```
+
+or if you want the CPU-only install (no cuda/etc):
+```
+pip install torch==1.13.1 torchvision torchaudio --index-url https://download.pytorch.org/whl/cpu # install CPU torch
+pip install pyg_lib torch_scatter torch_sparse -f https://data.pyg.org/whl/torch-1.13.1+cpu.html
+pip install -i https://test.pypi.org/simple/ ocp-models
+```
+
+## Conda (preferred for model training & development)
 
 - We'll use `conda` to install dependencies and set up the environment.
 We recommend using the [Python 3.9 Miniconda installer](https://docs.conda.io/en/latest/miniconda.html#linux-installers).
diff --git a/_sources/core/QUICKSTART.md b/_sources/core/QUICKSTART.md
new file mode 100644
index 000000000..fee7abfac
--- /dev/null
+++ b/_sources/core/QUICKSTART.md
@@ -0,0 +1,55 @@
+---
+jupytext:
+  text_representation:
+    extension: .md
+    format_name: myst
+    format_version: 0.13
+    jupytext_version: 1.16.1
+kernelspec:
+  display_name: Python 3 (ipykernel)
+  language: python
+  name: python3
+---
+
+Quickstart simulation using pre-trained models
+----------
+
+1. First, install OCP in a fresh python environment using one of the approaches in [installation documentation](INSTALL).
+2. See what pre-trained potentials are available 
+```{code-cell} ipython3
+from ocpmodels.models.model_registry import available_pretrained_models
+print(available_pretrained_models)
+```
+3. Choose a checkpoint you want to use and download it automatically! We'll use the GemNet-OC potential, trained on both the OC20 and OC22 datasets.
+```{code-cell} ipython3
+from ocpmodels.models.model_registry import model_name_to_local_file
+checkpoint_path = model_name_to_local_file('GemNet-OC OC20+OC22', local_cache='/tmp/ocp_checkpoints/')
+checkpoint_path
+```
+4. Finally, use this checkpoint in an ASE calculator for a simple relaxation!
+```
+from ocpmodels.common.relaxation.ase_utils import OCPCalculator
+from ase.build import fcc111, add_adsorbate
+from ase.optimize import BFGS
+import matplotlib.pyplot as plt
+from ase.visualize.plot import plot_atoms
+
+# Define the model atomic system, a Pt(111) slab with an *O adsorbate!
+slab = fcc111('Pt', size=(2, 2, 5), vacuum=10.0)
+add_adsorbate(slab, 'O', height=1.2, position='fcc')
+
+# Load the pre-trained checkpoint!
+calc = OCPCalculator(checkpoint_path=checkpoint_path, cpu=False)
+slab.set_calculator(calc)
+
+# Run the optimization!
+opt = BFGS(slab)
+opt.run(fmax=0.05, steps=100)
+
+# Visualize the result!
+fig, axs = plt.subplots(1, 2)
+plot_atoms(slab, axs[0]);
+plot_atoms(slab, axs[1], rotation=('-90x'))
+axs[0].set_axis_off()
+axs[1].set_axis_off()
+```
\ No newline at end of file
diff --git a/_sources/core/datasets/oc20.md b/_sources/core/datasets/oc20.md
index 72de8cbc3..eaea373fe 100644
--- a/_sources/core/datasets/oc20.md
+++ b/_sources/core/datasets/oc20.md
@@ -331,87 +331,83 @@ Please consider citing the following paper in any research manuscript using the
 
 ## 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	|
-
+|Adsorbate symbol	|Size	|MD5 checksum (download link)	|
+|---	|---	|---	|
+|*O	|1006M	|[d4151542856b4b6405f276808f75358a](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/0.tar) |
+|*H |850M	|[3697f04faf04251a23da8b88a78209f7](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/1.tar)	|
+|*OH	|1.6G	|[a21081f3f55eb0c98a91021bbe3dac44](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/2.tar)	|
+|*OH2	|1.8G	|[b12b706854f5d899e02a9ae6578b5d45](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/3.tar)	|
+|*C	|1.1G	|[e4fe9890764fcf59e01e3ceab089b978](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/4.tar)	|
+|*CH	|1.4G	|[ec9aa2c4c4bd4419359438ba7fbb881d](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/6.tar)	|
+|*CHO	|1.4G	|[d32200f74ad5c3bfd42e8835f36d57ab](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/7.tar)	|
+|*COH	|1.6G	|[5418a1b331f6c7689a5405cca4cc8d15](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/8.tar)	|
+|*CH2	|1.6G	|[8ee1066149c305d7c17c219b369c5a73](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/9.tar)	|
+|*CH2*O	|1.7G	|[960c2450814024b66f3c79121179ac60](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/10.tar)	|
+|*CHOH	|1.8G	|[60ac9f965f9589a3389483e3d1e58144](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/11.tar)	|
+|*CH3	|1.7G	|[7e123e6f4fb10d6897be3f47721dfd4a](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/12.tar)	|
+|*OCH3	|1.8G	|[0823047bbbe05fa0e63f9d83ec601487](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/13.tar)	|
+|*CH2OH	|1.9G	|[9ac71e198d75b1427182cd34abb73e4d](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/14.tar)	|
+|*CH4	|1.9G	|[a405ce403018bf8afbd4425d5c0b34d5](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/15.tar)	|
+|*OHCH3	|2.1G	|[d3c829f1952db6e4f428273ee05f59b1](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/16.tar)	|
+|*C*C	|1.5G	|[d687a151345305897b9245af4b0f9967](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/17.tar)	|
+|*CCO	|1.7G	|[214ca96e620c5ec6e8a6ff8144a22a04](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/18.tar)	|
+|*CCH	|1.6G	|[da2268545e80ca1664026449dd2fdd24](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/19.tar)	|
+|*CHCO	|1.7G	|[386c99407fe63080d26cda525dfdd8cd](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/20.tar)	|
+|*CCHO	|1.8G	|[918b20960438494ab160a9dbd9668157](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/21.tar)	|
+|*COCHO	|1.8G	|[84424aa2ad30301e23ece1438ea39923](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/22.tar)	|
+|*CCHOH	|2.0G	|[3cc90425ec042a70085ba7eb2916a79a](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/23.tar)	|
+|*CCH2	|1.8G	|[9dbcf7566e40965dd7f8a186a75a718e](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/24.tar)	|
+|*CH*CH	|1.7G	|[a193b4c72f915ba0b21a41790696b23c](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/25.tar)	|
+|CH2*CO	|1.8G	|[de83cf50247f5556fa4f9f64beff1eeb](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/26.tar)	|
+|*CHCHO	|1.9G	|[1d140aaa2e7b287124ab38911a711d70](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/27.tar)	|
+|*CH*COH	|1.3G	|[682d8a6b05ca5948b34dc5e5f6bbcd61](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/28.tar)	|
+|*COCH2O	|1.9G	|[c8742faa8ca40e8edb4110069817fa70](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/29.tar)	|
+|*CHO*CHO	|2.0G	|[8cfbb67beb312b98c40fcb891dfa480a](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/30.tar)	|
+|*COHCHO	|1.9G	|[6ffa903a62d8ec3319ecec6a03b06276](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/31.tar)	|
+|*COHCOH	|2.0G	|[caca0058b641bfdc9f8de4527e60feb7](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/32.tar)	|
+|*CCH3	|1.8G	|[906543aaefc171edab388ff4f0fe8a20](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/33.tar)	|
+|*CHCH2	|1.8G	|[4dfab479495f76179749c1956046fbd8](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/34.tar)	|
+|*COCH3	|1.9G	|[29d1b992715054e920e8bb2afe97b393](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/35.tar)	|
+|*CHCHOH	|2.0G	|[9e5912df6f7b11706d1046cdb9e3087e](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/38.tar)	|
+|*CCH2OH	|2.1G	|[7bcae43cee451306e34ec416588a7f09](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/38.tar)	|
+|*CHOCHOH	|2.0G	|[f98866d08fe3451ae7ebc47bb51599aa](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/40.tar)	|
+|*COCH2OH	|1.4G	|[bfaf689e5827fcf26c51e567bb8dd1be](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/41.tar)	|
+|*COHCHOH	|2.0G	|[236fe4e950aa2fbdde94ef2821fb48d2](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/42.tar)	|
+|*OCHCH3	|2.1G	|[66acc5460a999625c3364f0f3bcca871](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/44.tar)	|
+|*COHCH3	|2.1G	|[bb4a01956736399c8cee5e219f8c1229](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/45.tar)	|
+|*CHOHCH2	|2.1G	|[e836de4ec146b1b611533f1ef682cace](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/46.tar)	|
+|*CHCH2OH	|2.0G	|[66df44121806debef6dc038df7115d1d](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/47.tar)	|
+|*OCH2CHOH	|2.2G	|[ff6981fdbcd2e65d351505c15d218d76](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/48.tar)	|
+|*CHOCH2OH	|2.1G	|[448f7d352ab6e32f754e24de64ca302a](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/49.tar)	|
+|*COHCH2OH	|2.1G	|[8bff6bf3e10cc84acc4a283a375fcc23](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/50.tar)	|
+|*CHOHCHOH	|2.0G	|[9c9e4d617d306751760a80f1453e71f1](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/51.tar)	|
+|*CH2CH3	|2.0G	|[ec1e964d2ee6f468fa5773743e3994a4](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/52.tar)	|
+|*OCH2CH3	|2.1G	|[d297b27b02822f9b6af80bdb64aee819](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/53.tar)	|
+|*CHOHCH3	|2.1G	|[368de083dafdc3bbdb560d35e2a102c0](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/54.tar)	|
+|*CH2CH2OH	|2.1G	|[3c1aaf790659f7ff89bf1eed8b396b63](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/55.tar)	|
+|*CHOHCH2OH	|2.2G	|[2d71adb9e305e6f3bca49e5df9b5a86a](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/56.tar)	|
+|*OHCH2CH3	|2.3G	|[cf51128f8522b7b66fc68d79980d6def](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/57.tar)	|
+|*NH2N(CH3)2	|1.6G	|[36ba974d80c20ff636431f7c0ad225da](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/58.tar)	|
+|*ONN(CH3)2	|2.3G	|[fdc4cd19977496909d61be4aee61c4f1](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/59.tar)	|
+|*OHNNCH3	|2.1G	|[50a6ff098f9ba7adbba9ac115726cc5a](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/60.tar)	|
+|*ONH	|1.8G	|[47573199c545afe46c554ff756c3e38f](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/62.tar)	|
+|*NHNH	|1.7G	|[dd456b7e19ef592d9f0308d911b91d7c](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/63.tar)	|
+|*N*NH	|1.6G	|[c05289fd56d64c74306ebf57f1061318](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/65.tar)	|
+|*NO2NO2	|2.1G	|[4822a06f6c5f41bdefd3cbbd8856c11f](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/67.tar)	|
+|*N*NO	|1.6G	|[2a27de122d32917cc5b6ac0a21c63c1c](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/68.tar)	|
+|*N2	|1.5G	|[cc668fecf679b6edaac8fd8fb9cdd404](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/69.tar)	|
+|*ONNH2	|2.1G	|[dff880f1a5baa7f67b52fd3ed745443d](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/70.tar)	|
+|*NH2	|1.6G	|[c7f383b50faa6244e265c9611466cb8f](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/71.tar)	|
+|*NH3	|1.9G	|[2b355741f9300445703270e0e4b8c01c](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/72.tar)	|
+|*NONH	|1.8G	|[48877a0c6f2994baac82cb722711aaa2](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/73.tar)	|
+|*NH	|1.4G	|[7979b9e7ab557d6979b33e352486f0ef](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/74.tar)	|
+|*NO2	|1.7G	|[9f352fbc32bb2b8caf4788aba28b2eb7](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/75.tar)	|
+|*NO	|1.4G	|[482ee306a5ae2eee78cac40d10059ebc](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/76.tar)	|
+|*N	|1.1G	|[bfb6e03d4a687987ff68976f0793cc46](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/77.tar)	|
+|*NO3	|1.8G	|[700834326e789a6e38bf3922d9fcb792](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/78.tar)	|
+|*OHNH2	|2.1G	|[fa24472e0c02c34d91f3ffe6b77bfb11](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/79.tar)	|
+|*ONOH	|1.4G	|[4ddcccd62a834a76fe6167461f512529](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/80.tar)	|
+|*CN	|1.5G	|[bc7c55330ece006d09496a5ff01d5d50](https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/81.tar)	|
 
 Note - A few adsorbates are intentionally left out for the test splits.
 
diff --git a/_sources/tutorials/NRR/NRR_example.md b/_sources/tutorials/NRR/NRR_example.md
index d99f599f9..3a07ae2c8 100644
--- a/_sources/tutorials/NRR/NRR_example.md
+++ b/_sources/tutorials/NRR/NRR_example.md
@@ -121,7 +121,7 @@ You need to provide the calculator with a path to a model checkpoint file. That
 Running the model with BFGS prints at each relaxation step is a lot to print. So we will just run one to demonstrate what happens on each iteration.
 
 ```{code-cell} ipython3
-from ocpmodels.common.model_registry import model_name_to_local_file
+from ocpmodels.models.model_registry import model_name_to_local_file
 
 checkpoint_path = model_name_to_local_file('eSCN-L6-M3-Lay20All+MD', local_cache='/tmp/ocp_checkpoints/')
 
diff --git a/_sources/tutorials/OCP-introduction.md b/_sources/tutorials/OCP-introduction.md
index 655ade029..4420ffefa 100644
--- a/_sources/tutorials/OCP-introduction.md
+++ b/_sources/tutorials/OCP-introduction.md
@@ -58,7 +58,7 @@ The first step is getting a checkpoint for the model we want to use. eSCN is cur
 The different models have different compute requirements. If you find your kernel is crashing, it probably means you have exceeded the allowed amount of memory. This checkpoint works fine in this example, but it may crash your kernel if you use it in the NRR example.
 
 ```{code-cell}
-from ocpmodels.common.model_registry import model_name_to_local_file
+from ocpmodels.models.model_registry import model_name_to_local_file
 
 checkpoint_path = model_name_to_local_file('eSCN-L6-M3-Lay20All+MD', local_cache='/tmp/ocp_checkpoints/')
 ```
diff --git a/_sources/tutorials/advanced/mass-inference.md b/_sources/tutorials/advanced/mass-inference.md
index 61c157dc2..110b74ed1 100644
--- a/_sources/tutorials/advanced/mass-inference.md
+++ b/_sources/tutorials/advanced/mass-inference.md
@@ -33,13 +33,13 @@ You can retrieve the dataset below. In this notebook we learn how to do "mass in
 You have to choose a checkpoint to start with. The newer checkpoints may require too much memory for this environment. 
 
 ```{code-cell} ipython3
-from ocpmodels.common.model_registry import MODEL_REGISTRY
-print(MODEL_REGISTRY.keys())
+from ocpmodels.models.model_registry import available_pretrained_models
+print(available_pretrained_models)
 
 ```
 
 ```{code-cell} ipython3
-from ocpmodels.common.model_registry import model_name_to_local_file
+from ocpmodels.models.model_registry import model_name_to_local_file
 
 checkpoint_path = model_name_to_local_file('GemNet-dT OC22', local_cache='/tmp/ocp_checkpoints/')
 checkpoint_path
diff --git a/_sources/tutorials/fine-tuning/fine-tuning-oxides.md b/_sources/tutorials/fine-tuning/fine-tuning-oxides.md
index 7710afbc3..73ccbc02e 100644
--- a/_sources/tutorials/fine-tuning/fine-tuning-oxides.md
+++ b/_sources/tutorials/fine-tuning/fine-tuning-oxides.md
@@ -27,7 +27,7 @@ First we get the checkpoint that we want. According to the [MODELS](../../core/M
 We get this checkpoint here.
 
 ```{code-cell} ipython3
-from ocpmodels.common.model_registry import model_name_to_local_file
+from ocpmodels.models.model_registry import model_name_to_local_file
 
 checkpoint_path = model_name_to_local_file('GemNet-OC OC20+OC22', local_cache='/tmp/ocp_checkpoints/')
 ```
diff --git a/_sources/tutorials/intro.md b/_sources/tutorials/intro.md
index 25906ed1c..31d301303 100644
--- a/_sources/tutorials/intro.md
+++ b/_sources/tutorials/intro.md
@@ -14,7 +14,7 @@ kernelspec:
 Intro and background on OCP and DFT
 ----------
 
-# Abstract
+## Abstract
 
 The most recent, state of the art machine learned potentials in atomistic simulations are based on graph models that are trained on large (1M+) datasets. These models can be downloaded and used in a wide array of applications ranging from catalysis to materials properties. These pre-trained models can be used on their own, to accelerate DFT calculation, and they can also be used as a starting point to fine-tune new models for specific tasks. In this workshop we will focus on large, graph-based, pre-trained  machine learned models from the Open Catalyst Project (OCP) to showcase how they can be used for these purposes. OCP provides several pre-trained models for a variety of tasks related to atomistic simulations. We will explain what these models are, how they differ, and details of the datasets they are trained from.  We will introduce an Atomic Simulation Environment (ase) calculator that leverages an OCP pre-trained model for typical simulation tasks including adsorbate geometry relaxation, adsorption energy calculations, and reaction energies. We will show how pre-trained models can be fine-tuned on new data sets for new tasks. We will also discuss current limitations of the models and opportunities for future research. Participants will need a laptop with internet capability. 
 
@@ -24,7 +24,7 @@ The most recent, state of the art machine learned potentials in atomistic simula
 
 +++
 
-# Introduction
+## Introduction
 
 Density functional theory (DFT) has been a mainstay in molecular simulation, but its high computational cost limits the number and size of simulations that are practical. Over the past two decades machine learning has increasingly been used to build surrogate models to supplement DFT. We call these models machine learned potentials (MLP) In the early days, neural networks were trained using the cartesian coordinates of atomistic systems as features with some success. These features lack important physical properties, notably they lack invariance to rotations, translations and permutations, and they are extensive features, which limit them to the specific system being investigated. About 15 years ago, a new set of features called symmetry functions were developed that were intensive, and which had these invariances. These functions enabled substantial progress in MLP, but they had a few important limitations. First, the size of the feature vector scaled quadratically with the number of elements, practically limiting the MLP to 4-5 elements. Second, composition was usually implicit in the functions, which limited the transferrability of the MLP to new systems. Finally, these functions were "hand-crafted", with limited or no adaptability to the systems being explored, thus one needed to use judgement and experience to select them. While progess has been made in mitigating these limitations, a new approach has overtaken these methods.
 
@@ -40,45 +40,45 @@ The [Open Catalyst Project (OCP)](https://github.com/Open-Catalyst-Project) is a
 
 +++
 
-## Models
+### Models
 
 OCP provides several [models](../core/MODELS). Each model represents a different approach to featurization, and a different machine learning architecture. The models can be used for different tasks, and you will find different checkpoints associated with different datasets and tasks. 
 
 +++
 
-## Datasets / Tasks
+### Datasets / Tasks
 
 OCP provides several different datasets like [OC20](../core/datasets/oc20) that correspond to different tasks that range from predicting energy and forces from structures to Bader charges, relaxation energies, and others.
 
 +++
 
-## Checkpoints
+### Checkpoints
 
 To use a pre-trained model you need to have [ocp](https://github.com/Open-Catalyst-Project/ocp) installed. Then you need to choose a checkpoint and config file which will be loaded to configure OCP for the predictions you want to make. There are two approaches to running OCP, via scripts in a shell, or using an ASE compatible calculator.
 
 We will focus on the ASE compatible calculator here. To facilitate using the checkpoints, there is a set of [utilities](./ocp-tutorial) for this tutorial. You can list the checkpoints that are readily available here:
 
 ```{code-cell} ipython3
-from ocpmodels.common.model_registry import MODEL_REGISTRY
-print(MODEL_REGISTRY.keys())
+from ocpmodels.models.model_registry import available_pretrained_models
+print(available_pretrained_models)
 ```
 
 You can get a checkpoint file with one of the keys listed above like this. The resulting string is the name of the file downloaded, and you use that when creating an OCP calculator later.
 
 ```{code-cell} ipython3
-from ocpmodels.common.model_registry import model_name_to_local_file
+from ocpmodels.models.model_registry import model_name_to_local_file
 
 checkpoint_path = model_name_to_local_file('GemNet-OC OC20+OC22', local_cache='/tmp/ocp_checkpoints/')
 checkpoint_path
 ```
 
-# Goals for this tutorial
+## Goals for this tutorial
 
 This tutorial will start by using OCP in a Jupyter notebook to setup some simple calculations that use OCP to compute energy and forces, for structure optimization, and then an example of fine-tuning a model with new data.
 
 +++
 
-# About the compute environment
+## About the compute environment
 
 [ocp-tutorial.ipynb](./ocp_tutorial_helper.py) provides `describe_ocp` to output information that might be helpful in debugging.
 
diff --git a/autoapi/index.html b/autoapi/index.html
index 16391ad28..ed797e430 100644
--- a/autoapi/index.html
+++ b/autoapi/index.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="ocpmodels/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="ocpmodels/common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="ocpmodels/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -320,6 +321,7 @@
 <li class="toctree-l4"><a class="reference internal" href="ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
@@ -573,7 +575,6 @@ <h1>API Reference<a class="headerlink" href="#api-reference" title="Link to this
 <li class="toctree-l3"><a class="reference internal" href="ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l3"><a class="reference internal" href="ocpmodels/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
 <li class="toctree-l3"><a class="reference internal" href="ocpmodels/common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
-<li class="toctree-l3"><a class="reference internal" href="ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
 <li class="toctree-l3"><a class="reference internal" href="ocpmodels/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
 <li class="toctree-l3"><a class="reference internal" href="ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l3"><a class="reference internal" href="ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -697,6 +698,7 @@ <h1>API Reference<a class="headerlink" href="#api-reference" title="Link to this
 </li>
 <li class="toctree-l3"><a class="reference internal" href="ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l3"><a class="reference internal" href="ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l3"><a class="reference internal" href="ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l3"><a class="reference internal" href="ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
diff --git a/autoapi/ocpmodels/common/data_parallel/index.html b/autoapi/ocpmodels/common/data_parallel/index.html
index af11dcb10..2c5d1dc9e 100644
--- a/autoapi/ocpmodels/common/data_parallel/index.html
+++ b/autoapi/ocpmodels/common/data_parallel/index.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
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 <li class="toctree-l4"><a class="reference internal" href="../../models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../../models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
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diff --git a/autoapi/ocpmodels/common/distutils/index.html b/autoapi/ocpmodels/common/distutils/index.html
index 18c3491f7..cd4348a31 100644
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+++ b/autoapi/ocpmodels/common/distutils/index.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
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 <ul class="nav bd-sidenav">
 <li class="toctree-l1"><a class="reference internal" href="../../../../core/INSTALL.html">Installation</a></li>
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+
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
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 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained models</a></li>
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+
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained models</a></li>
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 </ul>
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+
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@@ -291,7 +293,6 @@
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@@ -177,9 +177,10 @@
                 </a>
             </li>
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained models</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>
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+
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diff --git a/autoapi/ocpmodels/common/logger/index.html b/autoapi/ocpmodels/common/logger/index.html
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-    <link rel="next" title="ocpmodels.common.model_registry" href="../model_registry/index.html" />
+    <link rel="next" title="ocpmodels.common.registry" href="../registry/index.html" />
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
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+<li class="toctree-l4"><a class="reference internal" href="../../models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
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       </div>
     </a>
     <a class="right-next"
-       href="../model_registry/index.html"
+       href="../registry/index.html"
        title="next page">
       <div class="prev-next-info">
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
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+<li class="toctree-l1"><a class="reference internal" href="../../../../../core/QUICKSTART.html">Quickstart simulation using pre-trained models</a></li>
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
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 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained models</a></li>
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                 <ul class="visible nav section-nav flex-column">
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 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#submodules">Submodules</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpmodels.models.available_pretrained_models"><code class="docutils literal notranslate"><span class="pre">available_pretrained_models</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpmodels.models.model_name_to_local_file"><code class="docutils literal notranslate"><span class="pre">model_name_to_local_file()</span></code></a></li>
+</ul>
+</li>
+</ul>
+</li>
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 <li class="toctree-l1"><a class="reference internal" href="base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
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+<li class="toctree-l1"><a class="reference internal" href="model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
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 </ul>
 </div>
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+<section id="package-contents">
+<h2>Package Contents<a class="headerlink" href="#package-contents" title="Link to this heading">#</a></h2>
+<section id="functions">
+<h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
+<table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpmodels.models.model_name_to_local_file" title="ocpmodels.models.model_name_to_local_file"><code class="xref py py-obj docutils literal notranslate"><span class="pre">model_name_to_local_file</span></code></a>(→ str)</p></td>
+<td><p>Download a pretrained checkpoint if it does not exist already</p></td>
+</tr>
+</tbody>
+</table>
+</section>
+<section id="attributes">
+<h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
+<table class="autosummary longtable table autosummary">
+<tbody>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpmodels.models.available_pretrained_models" title="ocpmodels.models.available_pretrained_models"><code class="xref py py-obj docutils literal notranslate"><span class="pre">available_pretrained_models</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+</tbody>
+</table>
+<dl class="py data">
+<dt class="sig sig-object py" id="ocpmodels.models.available_pretrained_models">
+<span class="sig-prename descclassname"><span class="pre">ocpmodels.models.</span></span><span class="sig-name descname"><span class="pre">available_pretrained_models</span></span><a class="headerlink" href="#ocpmodels.models.available_pretrained_models" title="Link to this definition">#</a></dt>
+<dd></dd></dl>
+
+<dl class="py function">
+<dt class="sig sig-object py" id="ocpmodels.models.model_name_to_local_file">
+<span class="sig-prename descclassname"><span class="pre">ocpmodels.models.</span></span><span class="sig-name descname"><span class="pre">model_name_to_local_file</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">model_name</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">local_cache</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">pathlib.Path</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">str</span></span></span><a class="headerlink" href="#ocpmodels.models.model_name_to_local_file" title="Link to this definition">#</a></dt>
+<dd><p>Download a pretrained checkpoint if it does not exist already</p>
+<dl class="field-list simple">
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
+<dd class="field-odd"><ul class="simple">
+<li><p><strong>model_name</strong> (<em>str</em>) – the model name. See available_pretrained_checkpoints.</p></li>
+<li><p><strong>local_cache</strong> (<em>str</em>) – </p></li>
+</ul>
+</dd>
+</dl>
+<p>Returns:</p>
+</dd></dl>
+
+</section>
+</section>
 </section>
 
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+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#package-contents">Package Contents</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpmodels.models.available_pretrained_models"><code class="docutils literal notranslate"><span class="pre">available_pretrained_models</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpmodels.models.model_name_to_local_file"><code class="docutils literal notranslate"><span class="pre">model_name_to_local_file()</span></code></a></li>
+</ul>
+</li>
+</ul>
+</li>
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diff --git a/autoapi/ocpmodels/common/model_registry/index.html b/autoapi/ocpmodels/models/model_registry/index.html
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-    <title>ocpmodels.common.model_registry &#8212; Open Catalyst Project Documentation</title>
+    <title>ocpmodels.models.model_registry &#8212; Open Catalyst Project Documentation</title>
   
   
   
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-    <script>DOCUMENTATION_OPTIONS.pagename = 'autoapi/ocpmodels/common/model_registry/index';</script>
+    <script>DOCUMENTATION_OPTIONS.pagename = 'autoapi/ocpmodels/models/model_registry/index';</script>
     <link rel="index" title="Index" href="../../../../genindex.html" />
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-    <link rel="next" title="ocpmodels.common.registry" href="../registry/index.html" />
-    <link rel="prev" title="ocpmodels.common.logger" href="../logger/index.html" />
+    <link rel="next" title="ocpmodels.models.schnet" href="../schnet/index.html" />
+    <link rel="prev" title="ocpmodels.models.dimenet_plus_plus" href="../dimenet_plus_plus/index.html" />
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@@ -177,9 +177,10 @@
                 </a>
             </li>
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -283,20 +285,19 @@
 <ul class="current nav bd-sidenav">
 <li class="toctree-l1 current active has-children"><a class="reference internal" href="../../../index.html">API Reference</a><input checked="" class="toctree-checkbox" id="toctree-checkbox-4" name="toctree-checkbox-4" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-4"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
 <li class="toctree-l2 current active has-children"><a class="reference internal" href="../../index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels</span></code></a><input checked="" class="toctree-checkbox" id="toctree-checkbox-5" name="toctree-checkbox-5" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-5"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
-<li class="toctree-l3 current active has-children"><a class="reference internal" href="../index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common</span></code></a><input checked="" class="toctree-checkbox" id="toctree-checkbox-6" name="toctree-checkbox-6" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-6"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
-<li class="toctree-l4"><a class="reference internal" href="../relaxation/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.relaxation</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../data_parallel/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.data_parallel</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../distutils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.distutils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../flags/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.flags</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
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-<li class="toctree-l4 current active"><a class="current reference internal" href="#"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../typing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.typing</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.utils</span></code></a></li>
+<li class="toctree-l3 has-children"><a class="reference internal" href="../../common/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-6" name="toctree-checkbox-6" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-6"><i class="fa-solid fa-chevron-down"></i></label><ul>
+<li class="toctree-l4"><a class="reference internal" href="../../common/relaxation/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.relaxation</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../common/data_parallel/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.data_parallel</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../common/distutils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.distutils</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../common/flags/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.flags</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../common/typing/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.typing</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../common/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.utils</span></code></a></li>
 </ul>
 </li>
 <li class="toctree-l3 has-children"><a class="reference internal" href="../../datasets/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.datasets</span></code></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>
@@ -309,18 +310,19 @@
 <li class="toctree-l4"><a class="reference internal" href="../../datasets/target_metadata_guesser/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.datasets.target_metadata_guesser</span></code></a></li>
 </ul>
 </li>
-<li class="toctree-l3 has-children"><a class="reference internal" href="../../models/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-8" name="toctree-checkbox-8" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-8"><i class="fa-solid fa-chevron-down"></i></label><ul>
-<li class="toctree-l4"><a class="reference internal" href="../../models/equiformer_v2/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.equiformer_v2</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../models/escn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.escn</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../models/gemnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.gemnet</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../models/gemnet_gp/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.gemnet_gp</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../models/gemnet_oc/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.gemnet_oc</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../models/painn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.painn</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../models/scn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.scn</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
+<li class="toctree-l3 current active has-children"><a class="reference internal" href="../index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models</span></code></a><input checked="" class="toctree-checkbox" id="toctree-checkbox-8" name="toctree-checkbox-8" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-8"><i class="fa-solid fa-chevron-down"></i></label><ul class="current">
+<li class="toctree-l4"><a class="reference internal" href="../equiformer_v2/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.equiformer_v2</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../escn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.escn</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../gemnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.gemnet</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../gemnet_gp/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.gemnet_gp</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../gemnet_oc/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.gemnet_oc</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../painn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.painn</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../scn/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.scn</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4 current active"><a class="current reference internal" href="#"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
 <li class="toctree-l3 has-children"><a class="reference internal" href="../../modules/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.modules</span></code></a><input class="toctree-checkbox" id="toctree-checkbox-9" name="toctree-checkbox-9" type="checkbox"/><label class="toctree-toggle" for="toctree-checkbox-9"><i class="fa-solid fa-chevron-down"></i></label><ul>
@@ -425,7 +427,7 @@
       
       
       
-      <li><a href="https://github.com/Open-Catalyst-Project/ocp/issues/new?title=Issue%20on%20page%20%2Fautoapi/ocpmodels/common/model_registry/index.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%2Fautoapi/ocpmodels/models/model_registry/index.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"
@@ -455,7 +457,7 @@
       
       
       
-      <li><a href="../../../../_sources/autoapi/ocpmodels/common/model_registry/index.rst" target="_blank"
+      <li><a href="../../../../_sources/autoapi/ocpmodels/models/model_registry/index.rst" target="_blank"
    class="btn btn-sm btn-download-source-button dropdown-item"
    title="Download source file"
    data-bs-placement="left" data-bs-toggle="tooltip"
@@ -539,7 +541,7 @@
               
 
 <div id="jb-print-docs-body" class="onlyprint">
-    <h1>ocpmodels.common.model_registry</h1>
+    <h1>ocpmodels.models.model_registry</h1>
     <!-- Table of contents -->
     <div id="print-main-content">
         <div id="jb-print-toc">
@@ -552,8 +554,9 @@ <h2> Contents </h2>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#module-contents">Module Contents</a><ul class="nav section-nav flex-column">
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#functions">Functions</a></li>
 <li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#attributes">Attributes</a><ul class="nav section-nav flex-column">
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpmodels.common.model_registry.MODEL_REGISTRY"><code class="docutils literal notranslate"><span class="pre">MODEL_REGISTRY</span></code></a></li>
-<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpmodels.common.model_registry.model_name_to_local_file"><code class="docutils literal notranslate"><span class="pre">model_name_to_local_file()</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpmodels.models.model_registry.MODEL_REGISTRY"><code class="docutils literal notranslate"><span class="pre">MODEL_REGISTRY</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpmodels.models.model_registry.available_pretrained_models"><code class="docutils literal notranslate"><span class="pre">available_pretrained_models</span></code></a></li>
+<li class="toc-h4 nav-item toc-entry"><a class="reference internal nav-link" href="#ocpmodels.models.model_registry.model_name_to_local_file"><code class="docutils literal notranslate"><span class="pre">model_name_to_local_file()</span></code></a></li>
 </ul>
 </li>
 </ul>
@@ -569,16 +572,16 @@ <h2> Contents </h2>
 <div id="searchbox"></div>
                 <article class="bd-article">
                   
-  <section id="module-ocpmodels.common.model_registry">
-<span id="ocpmodels-common-model-registry"></span><h1><a class="reference internal" href="#module-ocpmodels.common.model_registry" title="ocpmodels.common.model_registry"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a><a class="headerlink" href="#module-ocpmodels.common.model_registry" title="Link to this heading">#</a></h1>
+  <section id="module-ocpmodels.models.model_registry">
+<span id="ocpmodels-models-model-registry"></span><h1><a class="reference internal" href="#module-ocpmodels.models.model_registry" title="ocpmodels.models.model_registry"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a><a class="headerlink" href="#module-ocpmodels.models.model_registry" title="Link to this heading">#</a></h1>
 <section id="module-contents">
 <h2>Module Contents<a class="headerlink" href="#module-contents" title="Link to this heading">#</a></h2>
 <section id="functions">
 <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading">#</a></h3>
 <table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#ocpmodels.common.model_registry.model_name_to_local_file" title="ocpmodels.common.model_registry.model_name_to_local_file"><code class="xref py py-obj docutils literal notranslate"><span class="pre">model_name_to_local_file</span></code></a>(→ str | None)</p></td>
-<td><p></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpmodels.models.model_registry.model_name_to_local_file" title="ocpmodels.models.model_registry.model_name_to_local_file"><code class="xref py py-obj docutils literal notranslate"><span class="pre">model_name_to_local_file</span></code></a>(→ str)</p></td>
+<td><p>Download a pretrained checkpoint if it does not exist already</p></td>
 </tr>
 </tbody>
 </table>
@@ -587,21 +590,39 @@ <h3>Functions<a class="headerlink" href="#functions" title="Link to this heading
 <h3>Attributes<a class="headerlink" href="#attributes" title="Link to this heading">#</a></h3>
 <table class="autosummary longtable table autosummary">
 <tbody>
-<tr class="row-odd"><td><p><a class="reference internal" href="#ocpmodels.common.model_registry.MODEL_REGISTRY" title="ocpmodels.common.model_registry.MODEL_REGISTRY"><code class="xref py py-obj docutils literal notranslate"><span class="pre">MODEL_REGISTRY</span></code></a></p></td>
+<tr class="row-odd"><td><p><a class="reference internal" href="#ocpmodels.models.model_registry.MODEL_REGISTRY" title="ocpmodels.models.model_registry.MODEL_REGISTRY"><code class="xref py py-obj docutils literal notranslate"><span class="pre">MODEL_REGISTRY</span></code></a></p></td>
+<td><p></p></td>
+</tr>
+<tr class="row-even"><td><p><a class="reference internal" href="#ocpmodels.models.model_registry.available_pretrained_models" title="ocpmodels.models.model_registry.available_pretrained_models"><code class="xref py py-obj docutils literal notranslate"><span class="pre">available_pretrained_models</span></code></a></p></td>
 <td><p></p></td>
 </tr>
 </tbody>
 </table>
 <dl class="py data">
-<dt class="sig sig-object py" id="ocpmodels.common.model_registry.MODEL_REGISTRY">
-<span class="sig-prename descclassname"><span class="pre">ocpmodels.common.model_registry.</span></span><span class="sig-name descname"><span class="pre">MODEL_REGISTRY</span></span><a class="headerlink" href="#ocpmodels.common.model_registry.MODEL_REGISTRY" title="Link to this definition">#</a></dt>
+<dt class="sig sig-object py" id="ocpmodels.models.model_registry.MODEL_REGISTRY">
+<span class="sig-prename descclassname"><span class="pre">ocpmodels.models.model_registry.</span></span><span class="sig-name descname"><span class="pre">MODEL_REGISTRY</span></span><a class="headerlink" href="#ocpmodels.models.model_registry.MODEL_REGISTRY" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
-<dl class="py function">
-<dt class="sig sig-object py" id="ocpmodels.common.model_registry.model_name_to_local_file">
-<span class="sig-prename descclassname"><span class="pre">ocpmodels.common.model_registry.</span></span><span class="sig-name descname"><span class="pre">model_name_to_local_file</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">model_name</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">local_cache</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">None</span></span></span><a class="headerlink" href="#ocpmodels.common.model_registry.model_name_to_local_file" title="Link to this definition">#</a></dt>
+<dl class="py data">
+<dt class="sig sig-object py" id="ocpmodels.models.model_registry.available_pretrained_models">
+<span class="sig-prename descclassname"><span class="pre">ocpmodels.models.model_registry.</span></span><span class="sig-name descname"><span class="pre">available_pretrained_models</span></span><a class="headerlink" href="#ocpmodels.models.model_registry.available_pretrained_models" title="Link to this definition">#</a></dt>
 <dd></dd></dl>
 
+<dl class="py function">
+<dt class="sig sig-object py" id="ocpmodels.models.model_registry.model_name_to_local_file">
+<span class="sig-prename descclassname"><span class="pre">ocpmodels.models.model_registry.</span></span><span class="sig-name descname"><span class="pre">model_name_to_local_file</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">model_name</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">local_cache</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><span class="pre">str</span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><span class="pre">pathlib.Path</span></span></em><span class="sig-paren">)</span> <span class="sig-return"><span class="sig-return-icon">&#x2192;</span> <span class="sig-return-typehint"><span class="pre">str</span></span></span><a class="headerlink" href="#ocpmodels.models.model_registry.model_name_to_local_file" title="Link to this definition">#</a></dt>
+<dd><p>Download a pretrained checkpoint if it does not exist already</p>
+<dl class="field-list simple">
+<dt class="field-odd">Parameters<span class="colon">:</span></dt>
+<dd class="field-odd"><ul class="simple">
+<li><p><strong>model_name</strong> (<em>str</em>) – the model name. See available_pretrained_checkpoints.</p></li>
+<li><p><strong>local_cache</strong> (<em>str</em>) – </p></li>
+</ul>
+</dd>
+</dl>
+<p>Returns:</p>
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+
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-       href="../logger/index.html"
+       href="../dimenet_plus_plus/index.html"
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+       href="../schnet/index.html"
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 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained models</a></li>
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 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained models</a></li>
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-        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></p>
+        <p class="prev-next-title"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></p>
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 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained models</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>
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+
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+<li class="toctree-l4"><a class="reference internal" href="../models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
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index 9f925165b..d81bc3584 100644
--- a/autoapi/ocpmodels/trainers/ocp_trainer/index.html
+++ b/autoapi/ocpmodels/trainers/ocp_trainer/index.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../../../../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../../common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
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@@ -320,6 +321,7 @@
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+<li class="toctree-l4"><a class="reference internal" href="../../models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
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index ffa1eea3c..a9f2d4430 100644
--- a/core/FAQ.html
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@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; 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="QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
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diff --git a/core/INSTALL.html b/core/INSTALL.html
index e142d3508..964a0b04b 100644
--- a/core/INSTALL.html
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@@ -61,7 +61,7 @@
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     <link rel="index" title="Index" href="../genindex.html" />
     <link rel="search" title="Search" href="../search.html" />
-    <link rel="next" title="License" href="LICENSE.html" />
+    <link rel="next" title="Quickstart simulation using pre-trained models" href="QUICKSTART.html" />
     <link rel="prev" title="ocp by Open Catalyst Project" href="../index.html" />
   <meta name="viewport" content="width=device-width, initial-scale=1"/>
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@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="current nav bd-sidenav">
 <li class="toctree-l1 current active"><a class="current reference internal" href="#">Installation</a></li>
+<li class="toctree-l1"><a class="reference internal" href="QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
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 </ul>
 </li>
@@ -549,8 +551,12 @@ <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="#gpu-machines">GPU machines</a></li>
-<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#cpu-only-machines">CPU-only machines</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#pip-fast-easy-to-get-started">pip (fast, easy to get started)</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#conda-preferred-for-model-training-development">Conda (preferred for model training &amp; development)</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#gpu-machines">GPU machines</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cpu-only-machines">CPU-only machines</a></li>
+</ul>
+</li>
 </ul>
             </nav>
         </div>
@@ -562,8 +568,26 @@ <h2> Contents </h2>
 <div id="searchbox"></div>
                 <article class="bd-article">
                   
-  <section id="installation">
+  <section class="tex2jax_ignore mathjax_ignore" id="installation">
 <h1>Installation<a class="headerlink" href="#installation" title="Link to this heading">#</a></h1>
+<section id="pip-fast-easy-to-get-started">
+<h2>pip (fast, easy to get started)<a class="headerlink" href="#pip-fast-easy-to-get-started" title="Link to this heading">#</a></h2>
+<p>Installing the OCP package and necessary dependencies is now as easy as:</p>
+<p>(GPU)</p>
+<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">pip</span> <span class="n">install</span> <span class="n">torch</span><span class="o">==</span><span class="mf">1.13.1</span><span class="o">+</span><span class="n">cu117</span> <span class="n">torchvision</span><span class="o">==</span><span class="mf">0.14.1</span><span class="o">+</span><span class="n">cu117</span> <span class="n">torchaudio</span><span class="o">==</span><span class="mf">0.13.1</span> <span class="o">--</span><span class="n">extra</span><span class="o">-</span><span class="n">index</span><span class="o">-</span><span class="n">url</span> <span class="n">https</span><span class="p">:</span><span class="o">//</span><span class="n">download</span><span class="o">.</span><span class="n">pytorch</span><span class="o">.</span><span class="n">org</span><span class="o">/</span><span class="n">whl</span><span class="o">/</span><span class="n">cu117</span>
+<span class="n">pip</span> <span class="n">install</span> <span class="n">pyg_lib</span> <span class="n">torch_scatter</span> <span class="n">torch_sparse</span> <span class="o">-</span><span class="n">f</span> <span class="n">https</span><span class="p">:</span><span class="o">//</span><span class="n">data</span><span class="o">.</span><span class="n">pyg</span><span class="o">.</span><span class="n">org</span><span class="o">/</span><span class="n">whl</span><span class="o">/</span><span class="n">torch</span><span class="o">-</span><span class="mf">1.13.1</span><span class="o">+</span><span class="n">cu117</span><span class="o">.</span><span class="n">html</span>
+<span class="n">pip</span> <span class="n">install</span> <span class="o">-</span><span class="n">i</span> <span class="n">https</span><span class="p">:</span><span class="o">//</span><span class="n">test</span><span class="o">.</span><span class="n">pypi</span><span class="o">.</span><span class="n">org</span><span class="o">/</span><span class="n">simple</span><span class="o">/</span> <span class="n">ocp</span><span class="o">-</span><span class="n">models</span>
+</pre></div>
+</div>
+<p>or if you want the CPU-only install (no cuda/etc):</p>
+<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="n">pip</span> <span class="n">install</span> <span class="n">torch</span><span class="o">==</span><span class="mf">1.13.1</span> <span class="n">torchvision</span> <span class="n">torchaudio</span> <span class="o">--</span><span class="n">index</span><span class="o">-</span><span class="n">url</span> <span class="n">https</span><span class="p">:</span><span class="o">//</span><span class="n">download</span><span class="o">.</span><span class="n">pytorch</span><span class="o">.</span><span class="n">org</span><span class="o">/</span><span class="n">whl</span><span class="o">/</span><span class="n">cpu</span> <span class="c1"># install CPU torch</span>
+<span class="n">pip</span> <span class="n">install</span> <span class="n">pyg_lib</span> <span class="n">torch_scatter</span> <span class="n">torch_sparse</span> <span class="o">-</span><span class="n">f</span> <span class="n">https</span><span class="p">:</span><span class="o">//</span><span class="n">data</span><span class="o">.</span><span class="n">pyg</span><span class="o">.</span><span class="n">org</span><span class="o">/</span><span class="n">whl</span><span class="o">/</span><span class="n">torch</span><span class="o">-</span><span class="mf">1.13.1</span><span class="o">+</span><span class="n">cpu</span><span class="o">.</span><span class="n">html</span>
+<span class="n">pip</span> <span class="n">install</span> <span class="o">-</span><span class="n">i</span> <span class="n">https</span><span class="p">:</span><span class="o">//</span><span class="n">test</span><span class="o">.</span><span class="n">pypi</span><span class="o">.</span><span class="n">org</span><span class="o">/</span><span class="n">simple</span><span class="o">/</span> <span class="n">ocp</span><span class="o">-</span><span class="n">models</span>
+</pre></div>
+</div>
+</section>
+<section id="conda-preferred-for-model-training-development">
+<h2>Conda (preferred for model training &amp; development)<a class="headerlink" href="#conda-preferred-for-model-training-development" title="Link to this heading">#</a></h2>
 <ul>
 <li><p>We’ll use <code class="docutils literal notranslate"><span class="pre">conda</span></code> to install dependencies and set up the environment.
 We recommend using the <a class="reference external" href="https://docs.conda.io/en/latest/miniconda.html#linux-installers">Python 3.9 Miniconda installer</a>.</p></li>
@@ -580,7 +604,7 @@ <h1>Installation<a class="headerlink" href="#installation" title="Link to this h
 </ul>
 <p>Next, follow the instructions for <a class="reference internal" href="#gpu-machines"><span class="xref myst">GPU</span></a> or <a class="reference internal" href="#cpu-only-machines"><span class="xref myst">CPU</span></a> machines depending on your hardware to create a new environment named <code class="docutils literal notranslate"><span class="pre">ocp-models</span></code> and install dependencies.</p>
 <section id="gpu-machines">
-<h2>GPU machines<a class="headerlink" href="#gpu-machines" title="Link to this heading">#</a></h2>
+<h3>GPU machines<a class="headerlink" href="#gpu-machines" title="Link to this heading">#</a></h3>
 <p>Instructions are for PyTorch 1.13.1, CUDA 11.6 specifically.</p>
 <ul>
 <li><p>First, check that CUDA is in your <code class="docutils literal notranslate"><span class="pre">PATH</span></code> and <code class="docutils literal notranslate"><span class="pre">LD_LIBRARY_PATH</span></code>, e.g.</p>
@@ -609,7 +633,7 @@ <h2>GPU machines<a class="headerlink" href="#gpu-machines" title="Link to this h
 </ul>
 </section>
 <section id="cpu-only-machines">
-<h2>CPU-only machines<a class="headerlink" href="#cpu-only-machines" title="Link to this heading">#</a></h2>
+<h3>CPU-only machines<a class="headerlink" href="#cpu-only-machines" title="Link to this heading">#</a></h3>
 <p>Please skip the following if you completed the with-GPU installation from above.</p>
 <div class="highlight-bash notranslate"><div class="highlight"><pre><span></span>conda-merge<span class="w"> </span>env.common.yml<span class="w"> </span>env.cpu.yml<span class="w"> </span>&gt;<span class="w"> </span>env.yml
 mamba<span class="w"> </span>env<span class="w"> </span>create<span class="w"> </span>-f<span class="w"> </span>env.yml
@@ -619,6 +643,7 @@ <h2>CPU-only machines<a class="headerlink" href="#cpu-only-machines" title="Link
 </pre></div>
 </div>
 </section>
+</section>
 </section>
 
     <script type="text/x-thebe-config">
@@ -661,11 +686,11 @@ <h2>CPU-only machines<a class="headerlink" href="#cpu-only-machines" title="Link
       </div>
     </a>
     <a class="right-next"
-       href="LICENSE.html"
+       href="QUICKSTART.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">Quickstart simulation using pre-trained models</p>
       </div>
       <i class="fa-solid fa-angle-right"></i>
     </a>
@@ -685,8 +710,12 @@ <h2>CPU-only machines<a class="headerlink" href="#cpu-only-machines" title="Link
   </div>
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
-<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#gpu-machines">GPU machines</a></li>
-<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#cpu-only-machines">CPU-only machines</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#pip-fast-easy-to-get-started">pip (fast, easy to get started)</a></li>
+<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#conda-preferred-for-model-training-development">Conda (preferred for model training &amp; development)</a><ul class="nav section-nav flex-column">
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#gpu-machines">GPU machines</a></li>
+<li class="toc-h3 nav-item toc-entry"><a class="reference internal nav-link" href="#cpu-only-machines">CPU-only machines</a></li>
+</ul>
+</li>
 </ul>
   </nav></div>
 
diff --git a/core/LICENSE.html b/core/LICENSE.html
index 613e8de48..4a5e51801 100644
--- a/core/LICENSE.html
+++ b/core/LICENSE.html
@@ -62,7 +62,7 @@
     <link rel="index" title="Index" href="../genindex.html" />
     <link rel="search" title="Search" href="../search.html" />
     <link rel="next" title="Open Catalyst 2020 (OC20)" href="datasets/oc20.html" />
-    <link rel="prev" title="Installation" href="INSTALL.html" />
+    <link rel="prev" title="Quickstart simulation using pre-trained models" href="QUICKSTART.html" />
   <meta name="viewport" content="width=device-width, initial-scale=1"/>
   <meta name="docsearch:language" content="en"/>
   </head>
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="current 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="QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
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 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -320,6 +321,7 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
@@ -603,12 +605,12 @@ <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="QUICKSTART.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">Quickstart simulation using pre-trained models</p>
       </div>
     </a>
     <a class="right-next"
diff --git a/core/MODELS.html b/core/MODELS.html
index a6e3335c6..b1d909764 100644
--- a/core/MODELS.html
+++ b/core/MODELS.html
@@ -179,9 +179,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; 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="QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -212,6 +213,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -293,7 +295,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
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 </ul>
 </li>
diff --git a/core/QUICKSTART.html b/core/QUICKSTART.html
new file mode 100644
index 000000000..9eaa9f94c
--- /dev/null
+++ b/core/QUICKSTART.html
@@ -0,0 +1,719 @@
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+
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+<p aria-level="2" class="caption" role="heading"><span class="caption-text">Released Datasets &amp; Models</span></p>
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+<li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/fine-tuning-in-python.html">Fine-tuning with Python</a></li>
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+<li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/embeddings.html">Working with embeddings</a></li>
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+<li class="toctree-l2"><a class="reference internal" href="../tutorials/advanced/mass-inference.html">Mass inference</a></li>
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+<li class="toctree-l2"><a class="reference internal" href="../tutorials/NRR/NRR_example-gemnet.html">Using OCP to enumerate adsorbates on alloy catalyst surfaces</a></li>
+
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+
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+
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+    <h1>Quickstart simulation using pre-trained models</h1>
+    <!-- Table of contents -->
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+        <div id="jb-print-toc">
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+                  
+  <section id="quickstart-simulation-using-pre-trained-models">
+<h1>Quickstart simulation using pre-trained models<a class="headerlink" href="#quickstart-simulation-using-pre-trained-models" title="Link to this heading">#</a></h1>
+<ol class="arabic simple">
+<li><p>First, install OCP in a fresh python environment using one of the approaches in <a class="reference internal" href="INSTALL.html"><span class="doc std std-doc">installation documentation</span></a>.</p></li>
+<li><p>See what pre-trained potentials are available</p></li>
+</ol>
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.models.model_registry</span> <span class="kn">import</span> <span class="n">available_pretrained_models</span>
+<span class="nb">print</span><span class="p">(</span><span class="n">available_pretrained_models</span><span class="p">)</span>
+</pre></div>
+</div>
+</div>
+</div>
+<ol class="arabic simple" start="3">
+<li><p>Choose a checkpoint you want to use and download it automatically! We’ll use the GemNet-OC potential, trained on both the OC20 and OC22 datasets.</p></li>
+</ol>
+<div class="cell docutils container">
+<div class="cell_input docutils container">
+<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.models.model_registry</span> <span class="kn">import</span> <span class="n">model_name_to_local_file</span>
+<span class="n">checkpoint_path</span> <span class="o">=</span> <span class="n">model_name_to_local_file</span><span class="p">(</span><span class="s1">&#39;GemNet-OC OC20+OC22&#39;</span><span class="p">,</span> <span class="n">local_cache</span><span class="o">=</span><span class="s1">&#39;/tmp/ocp_checkpoints/&#39;</span><span class="p">)</span>
+<span class="n">checkpoint_path</span>
+</pre></div>
+</div>
+</div>
+</div>
+<ol class="arabic simple" start="4">
+<li><p>Finally, use this checkpoint in an ASE calculator for a simple relaxation!</p></li>
+</ol>
+<div class="highlight-default notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.common.relaxation.ase_utils</span> <span class="kn">import</span> <span class="n">OCPCalculator</span>
+<span class="kn">from</span> <span class="nn">ase.build</span> <span class="kn">import</span> <span class="n">fcc111</span><span class="p">,</span> <span class="n">add_adsorbate</span>
+<span class="kn">from</span> <span class="nn">ase.optimize</span> <span class="kn">import</span> <span class="n">BFGS</span>
+<span class="kn">import</span> <span class="nn">matplotlib.pyplot</span> <span class="k">as</span> <span class="nn">plt</span>
+<span class="kn">from</span> <span class="nn">ase.visualize.plot</span> <span class="kn">import</span> <span class="n">plot_atoms</span>
+
+<span class="c1"># Define the model atomic system, a Pt(111) slab with an *O adsorbate!</span>
+<span class="n">slab</span> <span class="o">=</span> <span class="n">fcc111</span><span class="p">(</span><span class="s1">&#39;Pt&#39;</span><span class="p">,</span> <span class="n">size</span><span class="o">=</span><span class="p">(</span><span class="mi">2</span><span class="p">,</span> <span class="mi">2</span><span class="p">,</span> <span class="mi">5</span><span class="p">),</span> <span class="n">vacuum</span><span class="o">=</span><span class="mf">10.0</span><span class="p">)</span>
+<span class="n">add_adsorbate</span><span class="p">(</span><span class="n">slab</span><span class="p">,</span> <span class="s1">&#39;O&#39;</span><span class="p">,</span> <span class="n">height</span><span class="o">=</span><span class="mf">1.2</span><span class="p">,</span> <span class="n">position</span><span class="o">=</span><span class="s1">&#39;fcc&#39;</span><span class="p">)</span>
+
+<span class="c1"># Load the pre-trained checkpoint!</span>
+<span class="n">calc</span> <span class="o">=</span> <span class="n">OCPCalculator</span><span class="p">(</span><span class="n">checkpoint_path</span><span class="o">=</span><span class="n">checkpoint_path</span><span class="p">,</span> <span class="n">cpu</span><span class="o">=</span><span class="kc">False</span><span class="p">)</span>
+<span class="n">slab</span><span class="o">.</span><span class="n">set_calculator</span><span class="p">(</span><span class="n">calc</span><span class="p">)</span>
+
+<span class="c1"># Run the optimization!</span>
+<span class="n">opt</span> <span class="o">=</span> <span class="n">BFGS</span><span class="p">(</span><span class="n">slab</span><span class="p">)</span>
+<span class="n">opt</span><span class="o">.</span><span class="n">run</span><span class="p">(</span><span class="n">fmax</span><span class="o">=</span><span class="mf">0.05</span><span class="p">,</span> <span class="n">steps</span><span class="o">=</span><span class="mi">100</span><span class="p">)</span>
+
+<span class="c1"># Visualize the result!</span>
+<span class="n">fig</span><span class="p">,</span> <span class="n">axs</span> <span class="o">=</span> <span class="n">plt</span><span class="o">.</span><span class="n">subplots</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="n">plot_atoms</span><span class="p">(</span><span class="n">slab</span><span class="p">,</span> <span class="n">axs</span><span class="p">[</span><span class="mi">0</span><span class="p">]);</span>
+<span class="n">plot_atoms</span><span class="p">(</span><span class="n">slab</span><span class="p">,</span> <span class="n">axs</span><span class="p">[</span><span class="mi">1</span><span class="p">],</span> <span class="n">rotation</span><span class="o">=</span><span class="p">(</span><span class="s1">&#39;-90x&#39;</span><span class="p">))</span>
+<span class="n">axs</span><span class="p">[</span><span class="mi">0</span><span class="p">]</span><span class="o">.</span><span class="n">set_axis_off</span><span class="p">()</span>
+<span class="n">axs</span><span class="p">[</span><span class="mi">1</span><span class="p">]</span><span class="o">.</span><span class="n">set_axis_off</span><span class="p">()</span>
+</pre></div>
+</div>
+</section>
+
+    <script type="text/x-thebe-config">
+    {
+        requestKernel: true,
+        binderOptions: {
+            repo: "binder-examples/jupyter-stacks-datascience",
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+        },
+        codeMirrorConfig: {
+            theme: "abcdef",
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diff --git a/core/TRAIN.html b/core/TRAIN.html
index a2c0edf0d..fb86de7d3 100644
--- a/core/TRAIN.html
+++ b/core/TRAIN.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; 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="QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -320,6 +321,7 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
diff --git a/core/datasets/oc20.html b/core/datasets/oc20.html
index 776342ed7..02de9e94c 100644
--- a/core/datasets/oc20.html
+++ b/core/datasets/oc20.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; 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="../QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -320,6 +321,7 @@
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
@@ -1027,390 +1029,313 @@ <h2>Citing OC20<a class="headerlink" href="#citing-oc20" title="Link to this hea
 </section>
 <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>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>
+<th class="head"><p>Size</p></th>
+<th class="head"><p>MD5 checksum (download link)</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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/0.tar">d4151542856b4b6405f276808f75358a</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/1.tar">3697f04faf04251a23da8b88a78209f7</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/2.tar">a21081f3f55eb0c98a91021bbe3dac44</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/3.tar">b12b706854f5d899e02a9ae6578b5d45</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/4.tar">e4fe9890764fcf59e01e3ceab089b978</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/6.tar">ec9aa2c4c4bd4419359438ba7fbb881d</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/7.tar">d32200f74ad5c3bfd42e8835f36d57ab</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/8.tar">5418a1b331f6c7689a5405cca4cc8d15</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/9.tar">8ee1066149c305d7c17c219b369c5a73</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/10.tar">960c2450814024b66f3c79121179ac60</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/11.tar">60ac9f965f9589a3389483e3d1e58144</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/12.tar">7e123e6f4fb10d6897be3f47721dfd4a</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/13.tar">0823047bbbe05fa0e63f9d83ec601487</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/14.tar">9ac71e198d75b1427182cd34abb73e4d</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/15.tar">a405ce403018bf8afbd4425d5c0b34d5</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/16.tar">d3c829f1952db6e4f428273ee05f59b1</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/17.tar">d687a151345305897b9245af4b0f9967</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/18.tar">214ca96e620c5ec6e8a6ff8144a22a04</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/19.tar">da2268545e80ca1664026449dd2fdd24</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/20.tar">386c99407fe63080d26cda525dfdd8cd</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/21.tar">918b20960438494ab160a9dbd9668157</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/22.tar">84424aa2ad30301e23ece1438ea39923</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/23.tar">3cc90425ec042a70085ba7eb2916a79a</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/24.tar">9dbcf7566e40965dd7f8a186a75a718e</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/25.tar">a193b4c72f915ba0b21a41790696b23c</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/26.tar">de83cf50247f5556fa4f9f64beff1eeb</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/27.tar">1d140aaa2e7b287124ab38911a711d70</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/28.tar">682d8a6b05ca5948b34dc5e5f6bbcd61</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/29.tar">c8742faa8ca40e8edb4110069817fa70</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/30.tar">8cfbb67beb312b98c40fcb891dfa480a</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/31.tar">6ffa903a62d8ec3319ecec6a03b06276</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/32.tar">caca0058b641bfdc9f8de4527e60feb7</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/33.tar">906543aaefc171edab388ff4f0fe8a20</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/34.tar">4dfab479495f76179749c1956046fbd8</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/35.tar">29d1b992715054e920e8bb2afe97b393</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/38.tar">9e5912df6f7b11706d1046cdb9e3087e</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/38.tar">7bcae43cee451306e34ec416588a7f09</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/40.tar">f98866d08fe3451ae7ebc47bb51599aa</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/41.tar">bfaf689e5827fcf26c51e567bb8dd1be</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/42.tar">236fe4e950aa2fbdde94ef2821fb48d2</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/44.tar">66acc5460a999625c3364f0f3bcca871</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/45.tar">bb4a01956736399c8cee5e219f8c1229</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/46.tar">e836de4ec146b1b611533f1ef682cace</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/47.tar">66df44121806debef6dc038df7115d1d</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/48.tar">ff6981fdbcd2e65d351505c15d218d76</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/49.tar">448f7d352ab6e32f754e24de64ca302a</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/50.tar">8bff6bf3e10cc84acc4a283a375fcc23</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/51.tar">9c9e4d617d306751760a80f1453e71f1</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/52.tar">ec1e964d2ee6f468fa5773743e3994a4</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/53.tar">d297b27b02822f9b6af80bdb64aee819</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/54.tar">368de083dafdc3bbdb560d35e2a102c0</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/55.tar">3c1aaf790659f7ff89bf1eed8b396b63</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/56.tar">2d71adb9e305e6f3bca49e5df9b5a86a</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/57.tar">cf51128f8522b7b66fc68d79980d6def</a></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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/58.tar">36ba974d80c20ff636431f7c0ad225da</a></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>
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 <td><p>2.1G</p></td>
-<td><p>50a6ff098f9ba7adbba9ac115726cc5a</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/60.tar">50a6ff098f9ba7adbba9ac115726cc5a</a></p></td>
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 <td><p>1.8G</p></td>
-<td><p>47573199c545afe46c554ff756c3e38f</p></td>
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 <td><p>1.7G</p></td>
-<td><p>dd456b7e19ef592d9f0308d911b91d7c</p></td>
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 <td><p>1.6G</p></td>
-<td><p>c05289fd56d64c74306ebf57f1061318</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/65.tar">c05289fd56d64c74306ebf57f1061318</a></p></td>
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 <td><p>2.1G</p></td>
-<td><p>4822a06f6c5f41bdefd3cbbd8856c11f</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/67.tar">4822a06f6c5f41bdefd3cbbd8856c11f</a></p></td>
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 <td><p>1.6G</p></td>
-<td><p>2a27de122d32917cc5b6ac0a21c63c1c</p></td>
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 <td><p>1.5G</p></td>
-<td><p>cc668fecf679b6edaac8fd8fb9cdd404</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/69.tar">cc668fecf679b6edaac8fd8fb9cdd404</a></p></td>
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-<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>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/70.tar">dff880f1a5baa7f67b52fd3ed745443d</a></p></td>
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 <td><p>1.6G</p></td>
-<td><p>c7f383b50faa6244e265c9611466cb8f</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/71.tar">c7f383b50faa6244e265c9611466cb8f</a></p></td>
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-<td><p>2b355741f9300445703270e0e4b8c01c</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/72.tar">2b355741f9300445703270e0e4b8c01c</a></p></td>
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 <td><p>1.8G</p></td>
-<td><p>48877a0c6f2994baac82cb722711aaa2</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/73.tar">48877a0c6f2994baac82cb722711aaa2</a></p></td>
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 <td><p>1.4G</p></td>
-<td><p>7979b9e7ab557d6979b33e352486f0ef</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/74.tar">7979b9e7ab557d6979b33e352486f0ef</a></p></td>
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-<td><p>9f352fbc32bb2b8caf4788aba28b2eb7</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/75.tar">9f352fbc32bb2b8caf4788aba28b2eb7</a></p></td>
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-<td><p>482ee306a5ae2eee78cac40d10059ebc</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/76.tar">482ee306a5ae2eee78cac40d10059ebc</a></p></td>
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-<td><p>bfb6e03d4a687987ff68976f0793cc46</p></td>
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-<td><p>700834326e789a6e38bf3922d9fcb792</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/78.tar">700834326e789a6e38bf3922d9fcb792</a></p></td>
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-<td><p>fa24472e0c02c34d91f3ffe6b77bfb11</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/79.tar">fa24472e0c02c34d91f3ffe6b77bfb11</a></p></td>
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 <td><p>1.4G</p></td>
-<td><p>4ddcccd62a834a76fe6167461f512529</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/80.tar">4ddcccd62a834a76fe6167461f512529</a></p></td>
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 <td><p>1.5G</p></td>
-<td><p>bc7c55330ece006d09496a5ff01d5d50</p></td>
+<td><p><a class="reference external" href="https://dl.fbaipublicfiles.com/opencatalystproject/data/per_adsorbate_is2res/81.tar">bc7c55330ece006d09496a5ff01d5d50</a></p></td>
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 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -209,6 +210,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -290,7 +292,6 @@
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -319,6 +320,7 @@
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
@@ -913,10 +915,10 @@ <h2 id="A">A</h2>
         <li><a href="autoapi/ocpmodels/datasets/ase_datasets/index.html#ocpmodels.datasets.ase_datasets.AseReadMultiStructureDataset">(class in ocpmodels.datasets.ase_datasets)</a>
 </li>
       </ul></li>
-  </ul></td>
-  <td style="width: 33%; vertical-align: top;"><ul>
       <li><a href="autoapi/ocpmodels/common/typing/index.html#ocpmodels.common.typing.assert_is_instance">assert_is_instance() (in module ocpmodels.common.typing)</a>
 </li>
+  </ul></td>
+  <td style="width: 33%; vertical-align: top;"><ul>
       <li><a href="autoapi/ocpmodels/models/gemnet/layers/basis_utils/index.html#ocpmodels.models.gemnet.layers.basis_utils.associated_legendre_polynomials">associated_legendre_polynomials() (in module ocpmodels.models.gemnet.layers.basis_utils)</a>
 
       <ul>
@@ -955,6 +957,12 @@ <h2 id="A">A</h2>
       </ul></li>
       <li><a href="autoapi/ocpmodels/modules/loss/index.html#ocpmodels.modules.loss.AtomwiseL2Loss">AtomwiseL2Loss (class in ocpmodels.modules.loss)</a>
 </li>
+      <li><a href="autoapi/ocpmodels/models/index.html#ocpmodels.models.available_pretrained_models">available_pretrained_models (in module ocpmodels.models)</a>
+
+      <ul>
+        <li><a href="autoapi/ocpmodels/models/model_registry/index.html#ocpmodels.models.model_registry.available_pretrained_models">(in module ocpmodels.models.model_registry)</a>
+</li>
+      </ul></li>
       <li><a href="autoapi/ocpmodels/modules/evaluator/index.html#ocpmodels.modules.evaluator.average_distance_within_threshold">average_distance_within_threshold() (in module ocpmodels.modules.evaluator)</a>
 </li>
   </ul></td>
@@ -2219,9 +2227,13 @@ <h2 id="M">M</h2>
 </li>
       <li><a href="autoapi/ocpmodels/common/relaxation/ml_relaxation/index.html#ocpmodels.common.relaxation.ml_relaxation.ml_relax">ml_relax() (in module ocpmodels.common.relaxation.ml_relaxation)</a>
 </li>
-      <li><a href="autoapi/ocpmodels/common/model_registry/index.html#ocpmodels.common.model_registry.model_name_to_local_file">model_name_to_local_file() (in module ocpmodels.common.model_registry)</a>
+      <li><a href="autoapi/ocpmodels/models/index.html#ocpmodels.models.model_name_to_local_file">model_name_to_local_file() (in module ocpmodels.models)</a>
+
+      <ul>
+        <li><a href="autoapi/ocpmodels/models/model_registry/index.html#ocpmodels.models.model_registry.model_name_to_local_file">(in module ocpmodels.models.model_registry)</a>
 </li>
-      <li><a href="autoapi/ocpmodels/common/model_registry/index.html#ocpmodels.common.model_registry.MODEL_REGISTRY">MODEL_REGISTRY (in module ocpmodels.common.model_registry)</a>
+      </ul></li>
+      <li><a href="autoapi/ocpmodels/models/model_registry/index.html#ocpmodels.models.model_registry.MODEL_REGISTRY">MODEL_REGISTRY (in module ocpmodels.models.model_registry)</a>
 </li>
       <li>
     module
@@ -2242,8 +2254,6 @@ <h2 id="M">M</h2>
         <li><a href="autoapi/ocpmodels/common/hpo_utils/index.html#module-ocpmodels.common.hpo_utils">ocpmodels.common.hpo_utils</a>
 </li>
         <li><a href="autoapi/ocpmodels/common/logger/index.html#module-ocpmodels.common.logger">ocpmodels.common.logger</a>
-</li>
-        <li><a href="autoapi/ocpmodels/common/model_registry/index.html#module-ocpmodels.common.model_registry">ocpmodels.common.model_registry</a>
 </li>
         <li><a href="autoapi/ocpmodels/common/registry/index.html#module-ocpmodels.common.registry">ocpmodels.common.registry</a>
 </li>
@@ -2418,6 +2428,8 @@ <h2 id="M">M</h2>
         <li><a href="autoapi/ocpmodels/models/gemnet_oc/layers/spherical_basis/index.html#module-ocpmodels.models.gemnet_oc.layers.spherical_basis">ocpmodels.models.gemnet_oc.layers.spherical_basis</a>
 </li>
         <li><a href="autoapi/ocpmodels/models/gemnet_oc/utils/index.html#module-ocpmodels.models.gemnet_oc.utils">ocpmodels.models.gemnet_oc.utils</a>
+</li>
+        <li><a href="autoapi/ocpmodels/models/model_registry/index.html#module-ocpmodels.models.model_registry">ocpmodels.models.model_registry</a>
 </li>
         <li><a href="autoapi/ocpmodels/models/painn/index.html#module-ocpmodels.models.painn">ocpmodels.models.painn</a>
 </li>
@@ -2630,13 +2642,6 @@ <h2 id="O">O</h2>
 
       <ul>
         <li><a href="autoapi/ocpmodels/common/logger/index.html#module-ocpmodels.common.logger">module</a>
-</li>
-      </ul></li>
-      <li>
-    ocpmodels.common.model_registry
-
-      <ul>
-        <li><a href="autoapi/ocpmodels/common/model_registry/index.html#module-ocpmodels.common.model_registry">module</a>
 </li>
       </ul></li>
       <li>
@@ -3024,8 +3029,6 @@ <h2 id="O">O</h2>
         <li><a href="autoapi/ocpmodels/models/gemnet/layers/embedding_block/index.html#module-ocpmodels.models.gemnet.layers.embedding_block">module</a>
 </li>
       </ul></li>
-  </ul></td>
-  <td style="width: 33%; vertical-align: top;"><ul>
       <li>
     ocpmodels.models.gemnet.layers.interaction_block
 
@@ -3033,6 +3036,8 @@ <h2 id="O">O</h2>
         <li><a href="autoapi/ocpmodels/models/gemnet/layers/interaction_block/index.html#module-ocpmodels.models.gemnet.layers.interaction_block">module</a>
 </li>
       </ul></li>
+  </ul></td>
+  <td style="width: 33%; vertical-align: top;"><ul>
       <li>
     ocpmodels.models.gemnet.layers.radial_basis
 
@@ -3248,6 +3253,13 @@ <h2 id="O">O</h2>
 
       <ul>
         <li><a href="autoapi/ocpmodels/models/gemnet_oc/utils/index.html#module-ocpmodels.models.gemnet_oc.utils">module</a>
+</li>
+      </ul></li>
+      <li>
+    ocpmodels.models.model_registry
+
+      <ul>
+        <li><a href="autoapi/ocpmodels/models/model_registry/index.html#module-ocpmodels.models.model_registry">module</a>
 </li>
       </ul></li>
       <li>
diff --git a/index.html b/index.html
index b2e0945fe..403678e72 100644
--- a/index.html
+++ b/index.html
@@ -178,9 +178,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -211,6 +212,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -292,7 +294,6 @@
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -321,6 +322,7 @@
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="autoapi/ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
diff --git a/legacy_tutorials/OCP_Tutorial.html b/legacy_tutorials/OCP_Tutorial.html
index c0aeab55c..2cf4628eb 100644
--- a/legacy_tutorials/OCP_Tutorial.html
+++ b/legacy_tutorials/OCP_Tutorial.html
@@ -179,9 +179,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -212,6 +213,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -293,7 +295,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -322,6 +323,7 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
diff --git a/legacy_tutorials/data_preprocessing.html b/legacy_tutorials/data_preprocessing.html
index 710b31aee..49e6dc213 100644
--- a/legacy_tutorials/data_preprocessing.html
+++ b/legacy_tutorials/data_preprocessing.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -320,6 +321,7 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
diff --git a/legacy_tutorials/data_visualization.html b/legacy_tutorials/data_visualization.html
index 9e8c6dfc2..84b9e632c 100644
--- a/legacy_tutorials/data_visualization.html
+++ b/legacy_tutorials/data_visualization.html
@@ -179,9 +179,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -212,6 +213,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -293,7 +295,6 @@
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 <li class="toctree-l1"><a class="reference internal" href="core/INSTALL.html">Installation</a></li>
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class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.gaussian_rbf</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.input_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.layer_norm</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.module_list</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.radial_function</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.so2_ops</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.so3</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.trainers.energy_trainer</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.trainers.forces_trainer</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.trainers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.trainers.lr_scheduler</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.transformer_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.wigner</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.escn.escn</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.escn</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.escn.so3</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.gemnet</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.initializers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.atom_update_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.base_layers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.basis_utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.efficient</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.embedding_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.interaction_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.radial_basis</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.spherical_basis</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.gemnet</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.initializers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.atom_update_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.base_layers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.basis_utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.efficient</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.embedding_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.interaction_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.radial_basis</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.spherical_basis</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.gemnet_oc</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.initializers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.interaction_indices</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.atom_update_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.base_layers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.basis_utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.efficient</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.embedding_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.force_scaler</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.interaction_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.radial_basis</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.spherical_basis</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.painn</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.painn.painn</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.painn.utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.schnet</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.scn</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.scn.sampling</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.scn.scn</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.scn.smearing</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.scn.spherical_harmonics</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.utils.activations</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.utils.basis</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.evaluator</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.exponential_moving_average</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.loss</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.normalizer</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.scaling.compat</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.scaling.fit</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.scaling</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.scaling.scale_factor</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.scaling.util</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.scheduler</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.transforms</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.preprocessing.atoms_to_graphs</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.preprocessing</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.tasks</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.tasks.task</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.trainers.base_trainer</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.trainers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.trainers.ocp_trainer</span></code>", "Frequently Asked Questions", "Installation", "License", "Pretrained OCP model checkpoints", "Training and evaluating models on OCP datasets", "Open Catalyst 2020 (OC20)", "Open Catalyst 2022 (OC22)", "Open Direct Air Capture 2023 (ODAC23)", "Notebook execution times", "<code class=\"docutils literal notranslate\"><span class=\"pre\">ocp</span></code> by Open Catalyst Project", "Open Catalyst Project Tutorial Notebook", "OCP Data Preprocessing Tutorial", "OCP Data Visualization", "Legacy [deprecated] Tutorials", "OCP LMDB Dataset Tutorial", "Using OCP to enumerate adsorbates on catalyst surfaces", "Using OCP to enumerate adsorbates on alloy catalyst surfaces", "Screening catalysts with OCP", "Simple simulations using the OCP ASE calculator", "Advanced OCP usage", "Working with embeddings", "Fine-tuning with Python", "Advanced example: Fine-tuning", "Mass inference", "Fine tuning a model", "Common gotchas with OCP", "Intro and background on OCP and DFT", "Open Catalyst Intro Series", "Technical presentations"], "terms": {"thi": [0, 1, 2, 3, 4, 5, 6, 7, 9, 10, 12, 14, 15, 16, 18, 19, 20, 24, 25, 26, 27, 28, 29, 31, 32, 33, 34, 35, 37, 38, 39, 41, 45, 46, 47, 52, 54, 55, 57, 58, 59, 60, 61, 62, 64, 65, 66, 67, 68, 70, 71, 72, 73, 74, 75, 77, 78, 79, 80, 81, 83, 84, 85, 86, 87, 88, 89, 90, 92, 93, 94, 95, 98, 99, 100, 102, 103, 104, 105, 106, 107, 109, 110, 111, 112, 113, 116, 117, 119, 121, 122, 124, 125, 127, 128, 130, 131, 132, 133, 134, 136, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153], "page": [0, 131, 137, 138, 140], "contain": [0, 16, 18, 20, 26, 28, 29, 32, 33, 34, 35, 38, 41, 42, 45, 55, 59, 60, 68, 72, 73, 81, 84, 86, 87, 93, 98, 103, 104, 106, 107, 112, 116, 117, 121, 122, 128, 132, 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104, 106, 107, 110, 112, 116, 117, 118, 121, 122, 125, 126, 127, 138, 139], "fals": [1, 2, 4, 9, 12, 14, 18, 20, 26, 27, 28, 33, 34, 35, 37, 39, 44, 46, 47, 50, 52, 53, 55, 59, 60, 66, 67, 68, 72, 73, 79, 80, 81, 84, 86, 87, 92, 93, 94, 95, 98, 99, 100, 103, 107, 110, 118, 121, 122, 125, 126, 127, 131, 132, 138, 139, 140, 142, 143, 144, 146, 148, 149, 151, 152, 153], "__call__": [1, 15, 18, 49, 120], "data_list": [1, 18, 26, 28, 121, 122], "list": [1, 2, 10, 15, 16, 18, 20, 26, 27, 28, 32, 37, 39, 40, 42, 43, 44, 45, 49, 50, 52, 53, 54, 60, 73, 81, 87, 98, 107, 117, 121, 122, 131, 133, 138, 148, 152, 154], "torch_geometr": [1, 14, 18, 19, 26, 28, 98, 100, 120, 121, 122, 138, 139], "data": [1, 2, 4, 14, 15, 16, 18, 19, 20, 26, 27, 28, 29, 32, 33, 35, 37, 39, 52, 53, 55, 67, 68, 80, 81, 98, 100, 103, 120, 121, 122, 125, 126, 141, 143, 144, 146, 148, 150, 151, 152, 154], "batch": [1, 10, 12, 14, 18, 26, 28, 33, 35, 45, 50, 54, 100, 115, 126, 127, 128, 132, 138, 153], "balanced_partit": 1, 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121, 122, 125, 126, 127, 128, 129, 130, 131, 133, 134, 135, 137, 139, 140, 141, 142, 145, 148, 149, 151, 152, 153, 154], "static": [1, 4, 20, 26, 125, 126], "checker": 1, "recogn": 1, "structur": [1, 12, 18, 20, 26, 28, 29, 32, 33, 34, 35, 38, 41, 45, 46, 47, 59, 72, 86, 93, 98, 103, 104, 106, 107, 112, 116, 117, 121, 122, 126, 127, 128, 131, 137, 140, 141, 143, 144, 146, 148, 151, 152, 154], "subtyp": 1, "duck": 1, "For": [1, 18, 20, 26, 28, 29, 40, 41, 44, 49, 50, 95, 117, 128, 131, 132, 133, 134, 135, 137, 138, 140, 143, 144, 146, 148, 152, 153], "exampl": [1, 4, 10, 18, 20, 26, 32, 33, 34, 35, 38, 40, 41, 42, 44, 45, 46, 47, 50, 59, 67, 72, 80, 86, 93, 95, 98, 99, 103, 104, 106, 107, 112, 116, 117, 126, 127, 128, 132, 133, 134, 138, 146, 152, 153, 154], "return": [1, 4, 9, 15, 16, 18, 20, 26, 28, 32, 33, 34, 35, 37, 38, 39, 41, 42, 44, 45, 55, 58, 59, 60, 61, 62, 64, 67, 68, 71, 72, 73, 74, 75, 77, 80, 81, 84, 85, 86, 87, 88, 89, 92, 93, 95, 98, 99, 103, 104, 106, 107, 110, 112, 116, 117, 121, 122, 138, 140, 142, 146, 148], "0": [1, 4, 10, 12, 14, 15, 16, 18, 26, 27, 28, 29, 30, 33, 34, 35, 37, 39, 41, 46, 47, 50, 52, 53, 55, 57, 60, 65, 67, 68, 70, 73, 77, 78, 80, 81, 83, 87, 90, 92, 93, 95, 98, 99, 100, 103, 104, 106, 107, 121, 122, 125, 126, 127, 128, 131, 132, 133, 134, 135, 138, 139, 140, 142, 143, 144, 146, 148, 151, 152, 153], "func": [1, 52], "x": [1, 2, 17, 32, 33, 34, 35, 38, 41, 42, 44, 45, 50, 52, 59, 60, 67, 72, 73, 80, 86, 87, 93, 95, 98, 100, 103, 104, 105, 106, 107, 112, 116, 117, 138, 140, 143, 144, 146], "pass": [1, 4, 9, 18, 20, 50, 52, 53, 55, 64, 68, 77, 81, 92, 98, 100, 103, 128, 140, 143, 144, 154], "check": [1, 128, 129, 137, 138, 139, 142, 143, 144, 152, 156], "see": [1, 4, 20, 26, 27, 35, 98, 128, 131, 132, 133, 137, 138, 140, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153], "pep": 1, "544": 1, "detail": [1, 4, 128, 131, 132, 133, 137, 138, 140, 143, 146, 148, 152, 153, 154], "decor": [1, 18], "runtime_check": 1, "act": [1, 9, 33, 42, 45, 52, 54, 103, 106, 107], "simpl": [1, 57, 70, 83, 138, 150, 152, 154], "mind": [1, 20, 26, 153], "runtim": [1, 138], "onli": [1, 12, 18, 20, 26, 34, 46, 47, 55, 60, 68, 73, 81, 84, 87, 88, 92, 98, 126, 127, 132, 134, 138, 139, 140, 143, 144, 146, 148, 149, 151, 152, 153], "presenc": [1, 138], "attribut": [1, 10, 32, 34, 35, 38, 41, 45, 59, 72, 86, 93, 98, 103, 104, 106, 107, 112, 116, 131, 133, 134, 135, 138, 142], "ignor": [1, 10, 26, 28, 29, 153], "signatur": 1, "can": [1, 4, 10, 18, 20, 26, 27, 32, 33, 34, 35, 37, 38, 39, 41, 42, 45, 46, 47, 59, 72, 86, 93, 98, 103, 104, 106, 107, 112, 116, 117, 121, 122, 126, 127, 128, 131, 132, 133, 134, 135, 137, 138, 139, 140, 141, 143, 144, 146, 148, 149, 151, 152, 154, 155], "thei": [1, 4, 10, 18, 84, 132, 138, 140, 142, 143, 144, 146, 148, 151, 152, 153, 154], "genproto": 1, "t": [1, 4, 9, 10, 20, 26, 37, 39, 55, 64, 67, 68, 77, 80, 81, 95, 128, 140, 143, 144, 146, 148, 152], "properti": [1, 10, 20, 22, 26, 27, 32, 33, 37, 39, 46, 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What should I do?": [[128, "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).": [[128, "i-m-trying-to-run-gemnet-oc-on-my-data-but-it-errors-out-on-sph-basis-self-spherical-basis-cos-cab-cabd"]], "Installation": [[129, "installation"], [137, "installation"]], "GPU machines": [[129, "gpu-machines"]], "CPU-only machines": [[129, "cpu-only-machines"]], "License": [[130, "license"], [137, "license"]], "Pretrained OCP model checkpoints": [[131, "pretrained-ocp-model-checkpoints"]], "Open Catalyst 2020 (OC20)": [[131, "open-catalyst-2020-oc20"], [133, "open-catalyst-2020-oc20"]], "S2EF models: optimized for EFwT": [[131, "s2ef-models-optimized-for-efwt"]], "S2EF models: optimized for force only": [[131, "s2ef-models-optimized-for-force-only"]], "IS2RE models": [[131, "is2re-models"]], "Open 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"Acknowledgements": [[137, "acknowledgements"]], "Citing ocp": [[137, "citing-ocp"]], "Open Catalyst Project Tutorial Notebook": [[138, "open-catalyst-project-tutorial-notebook"]], "Table of Contents": [[138, "table-of-contents"]], "Background <a name=\"background\"></a>": [[138, "background"]], "Objective <a name=\"objective\"></a>": [[138, "objective"]], "Climate Impact": [[138, "climate-impact"]], "Target Audience": [[138, "target-audience"]], "Background & Prerequisites": [[138, "background-prerequisites"]], "Background References": [[138, "background-references"]], "Software Requirements": [[138, "software-requirements"]], "Dataset Overview": [[138, "dataset-overview"]], "Tutorial Use": [[138, "tutorial-use"]], "Data Download [~1min] <a name=\"download\"></a>": [[138, "data-download-1min"]], "Data Visualization <a name=\"visual\"></a>": [[138, "data-visualization"]], "Understanding the data": [[138, "understanding-the-data"], [140, "understanding-the-data"]], "Generating sample data": [[138, "generating-sample-data"], [140, "generating-sample-data"]], "Structural relaxations": [[138, "structural-relaxations"]], "Reading a trajectory": [[138, "reading-a-trajectory"], [140, "reading-a-trajectory"]], "Viewing a trajectory": [[138, "viewing-a-trajectory"], [140, "viewing-a-trajectory"]], "Data contents <a name=\"contents\"></a>": [[138, "data-contents"]], "Atomic numbers": [[138, "atomic-numbers"], [140, "atomic-numbers"]], "Atomic symbols": [[138, "atomic-symbols"], [140, "atomic-symbols"]], "Unit cell": [[138, "unit-cell"], [140, "unit-cell"]], "Periodic boundary conditions (PBC)": [[138, "periodic-boundary-conditions-pbc"], [140, "periodic-boundary-conditions-pbc"]], "Tags": [[138, "tags"], [140, "tags"]], "Fixed atoms constraint": [[138, "fixed-atoms-constraint"], [140, "fixed-atoms-constraint"]], "Adsorption energy": [[138, "adsorption-energy"]], "Plot energy profile of toy trajectory": [[138, "plot-energy-profile-of-toy-trajectory"]], "Force": [[138, "force"]], "Interacting with the OC20 datasets": [[138, "interacting-with-the-oc20-datasets"]], "Additional Resources": [[138, "additional-resources"]], "Tasks": [[138, "tasks"]], "Structure to Energy and Forces (S2EF) <a name=\"s2ef\"></a>": [[138, "structure-to-energy-and-forces-s2ef"]], "Steps for training an S2EF model": [[138, "steps-for-training-an-s2ef-model"]], "Imports": [[138, "imports"], [138, "id1"], [138, "id8"], [138, "id13"]], "Dataset": [[138, "dataset"], [138, "id2"], [138, "id9"]], "Normalize data": [[138, "normalize-data"], [138, "id3"]], "Define the Config": [[138, "define-the-config"], [138, "id4"], [138, "id10"]], "Create the trainer": [[138, "create-the-trainer"], [138, "id11"]], "Train the model": [[138, "train-the-model"]], "Validate the model": [[138, "validate-the-model"]], "Load the best checkpoint": [[138, "load-the-best-checkpoint"], [138, "id7"], [138, "id12"]], "Run on the test set": [[138, "run-on-the-test-set"]], "Initial Structure to Relaxed Energy (IS2RE) <a name=\"is2re\"></a>": [[138, "initial-structure-to-relaxed-energy-is2re"]], "Steps for training an IS2RE model": [[138, "steps-for-training-an-is2re-model"]], "Train the Model": [[138, "id5"]], "Validate the Model": [[138, "id6"]], "Test the model": [[138, "test-the-model"]], "Initial Structure to Relaxed Structure (IS2RS) <a name=\"is2rs\"></a>": [[138, "initial-structure-to-relaxed-structure-is2rs"]], "Steps for making IS2RS predictions": [[138, "steps-for-making-is2rs-predictions"]], "Download pretrained checkpoint": [[138, "download-pretrained-checkpoint"], [138, "id14"]], "Run relaxations": [[138, "run-relaxations"]], "Visualize ML-driven relaxations": [[138, "visualize-ml-driven-relaxations"]], "Model development <a name=\"model-dev\"></a>": [[138, "model-development"]], "Atom and Edge Embeddings": [[138, "atom-and-edge-embeddings"]], "Message passing": [[138, "message-passing"]], "Training the model": [[138, "training-the-model"]], "Incorporating triplets and training GemNet-T": [[138, "incorporating-triplets-and-training-gemnet-t"]], "(Optional) OCP Calculator <a name=\"calc\"></a>": [[138, "optional-ocp-calculator"]], "Using the OCP Calculator": [[138, "using-the-ocp-calculator"]], "(Optional) Creating your own LMDBs for use in the OCP repository": [[138, "optional-creating-your-own-lmdbs-for-use-in-the-ocp-repository"]], "Initial Structure to Relaxed Energy (IS2RE) LMDBs": [[138, "initial-structure-to-relaxed-energy-is2re-lmdbs"]], "Structure to Energy and Forces (S2EF) LMDBs": [[138, "structure-to-energy-and-forces-s2ef-lmdbs"], [142, "structure-to-energy-and-forces-s2ef-lmdbs"]], "Running on command line [Preferred way to train models] <a name=\"cmd\"></a>": [[138, "running-on-command-line-preferred-way-to-train-models"]], "Limitations <a name=\"limit\"></a>": [[138, "limitations"]], "Next Steps <a name=\"steps\"></a>": [[138, "next-steps"]], "References": [[138, "references"]], "OCP Data Preprocessing Tutorial": [[139, "ocp-data-preprocessing-tutorial"]], "Generate toy dataset: Relaxation of CO on Cu": [[139, "generate-toy-dataset-relaxation-of-co-on-cu"], [142, "generate-toy-dataset-relaxation-of-co-on-cu"]], "Convert Atoms object to Data object": [[139, "convert-atoms-object-to-data-object"]], "Adding additional info to your Data objects": [[139, "adding-additional-info-to-your-data-objects"]], "OCP Data Visualization": [[140, "ocp-data-visualization"]], "Saving a trajectory video": [[140, "saving-a-trajectory-video"]], "Data contents": [[140, "data-contents"]], "Energy": [[140, "energy"]], "Forces": [[140, "forces"]], "Resources": [[140, "resources"]], "Legacy [deprecated] Tutorials": [[141, "legacy-deprecated-tutorials"]], "OCP LMDB Dataset Tutorial": [[142, "ocp-lmdb-dataset-tutorial"]], "Initial Structure to Relaxed Energy/Structure (IS2RE/IS2RS) LMDBs": [[142, "initial-structure-to-relaxed-energy-structure-is2re-is2rs-lmdbs"]], "Initialize AtomsToGraph feature extractor": [[142, "initialize-atomstograph-feature-extractor"]], "Initialize LMDB file": [[142, "initialize-lmdb-file"]], "Write data to LMDB": [[142, "write-data-to-lmdb"]], "Advanced usage": [[142, "advanced-usage"]], "Interacting with the LMDBs": [[142, "interacting-with-the-lmdbs"]], "Using OCP to enumerate adsorbates on catalyst surfaces": [[143, "using-ocp-to-enumerate-adsorbates-on-catalyst-surfaces"]], "Introduction": [[143, "introduction"], [144, "introduction"], [154, "introduction"]], "Enumerate the adsorbate-slab configurations to run relaxations on": [[143, "enumerate-the-adsorbate-slab-configurations-to-run-relaxations-on"], [144, "enumerate-the-adsorbate-slab-configurations-to-run-relaxations-on"]], "Work out a single example": [[143, "work-out-a-single-example"], [144, "work-out-a-single-example"]], "Run an ML relaxation": [[143, "run-an-ml-relaxation"], [144, "run-an-ml-relaxation"]], "Run all the systems": [[143, "run-all-the-systems"], [144, "run-all-the-systems"]], "Parse the trajectories and post-process": [[143, "parse-the-trajectories-and-post-process"], [144, "parse-the-trajectories-and-post-process"]], "Make parity plots for values obtained by ML v. reported in the paper": [[143, "make-parity-plots-for-values-obtained-by-ml-v-reported-in-the-paper"], [144, "make-parity-plots-for-values-obtained-by-ml-v-reported-in-the-paper"]], "Make figure 6b and compare to literature results": [[143, "make-figure-6b-and-compare-to-literature-results"], [144, "make-figure-6b-and-compare-to-literature-results"]], "Using OCP to enumerate adsorbates on alloy catalyst surfaces": [[144, "using-ocp-to-enumerate-adsorbates-on-alloy-catalyst-surfaces"]], "Next steps": [[144, "next-steps"], [146, "next-steps"], [152, "next-steps"]], "Screening catalysts with OCP": [[145, "screening-catalysts-with-ocp"]], "Simple simulations using the OCP ASE calculator": [[146, "simple-simulations-using-the-ocp-ase-calculator"]], "Calculating adsorption energies": [[146, "calculating-adsorption-energies"]], "Exercises": [[146, "exercises"], [146, "id1"]], "Trends in adsorption energies across metals.": [[146, "trends-in-adsorption-energies-across-metals"]], "Site correlations": [[146, "site-correlations"]], "Convergence study": [[146, "convergence-study"]], "Effects of number of layers": [[146, "effects-of-number-of-layers"]], "Effects of relaxation": [[146, "effects-of-relaxation"]], "Unit cell size": [[146, "unit-cell-size"]], "Summary": [[146, "summary"]], "Advanced OCP usage": [[147, "advanced-ocp-usage"]], "Working with embeddings": [[148, "working-with-embeddings"]], "A diagnostic example": [[148, "a-diagnostic-example"]], "Bulk Cu equation of state example": [[148, "bulk-cu-equation-of-state-example"]], "A clustering example": [[148, "a-clustering-example"]], "Clustering individual atoms": [[148, "clustering-individual-atoms"]], "A simple vector search example": [[148, "a-simple-vector-search-example"]], "Fine-tuning with Python": [[149, "fine-tuning-with-python"]], "Split the data into train, test, val sets": [[149, "split-the-data-into-train-test-val-sets"]], "Setup the training code": [[149, "setup-the-training-code"]], "Setup the training task": [[149, "setup-the-training-task"]], "Run the training task": [[149, "run-the-training-task"]], "Advanced example: Fine-tuning": [[150, "advanced-example-fine-tuning"]], "Mass inference": [[151, "mass-inference"]], "The ASE calculator way": [[151, "the-ase-calculator-way"]], "Comparing ASE calculator and main.py": [[151, "comparing-ase-calculator-and-main-py"]], "Fine tuning a model": [[152, "fine-tuning-a-model"]], "Fine tuning the checkpoint": [[152, "fine-tuning-the-checkpoint"]], "Make the train, test, val splits": [[152, "make-the-train-test-val-splits"]], "Setting up the configuration yaml file": [[152, "setting-up-the-configuration-yaml-file"]], "Running the training job": [[152, "running-the-training-job"]], "Common gotchas with OCP": [[153, "common-gotchas-with-ocp"]], "OutOfMemoryError": [[153, "outofmemoryerror"]], "I want the energy of a gas phase atom": [[153, "i-want-the-energy-of-a-gas-phase-atom"]], "I get wildly different energies from the different models": [[153, "i-get-wildly-different-energies-from-the-different-models"]], "Miscellaneous warnings": [[153, "miscellaneous-warnings"]], "Unrecognized arguments": [[153, "unrecognized-arguments"]], "Unable to identify OCP trainer": [[153, "unable-to-identify-ocp-trainer"]], "Request entity too large - can\u2019t save your Notebook": [[153, "request-entity-too-large-can-t-save-your-notebook"]], "You need at least four atoms for molecules with some models": [[153, "you-need-at-least-four-atoms-for-molecules-with-some-models"]], "To tag or not?": [[153, "to-tag-or-not"]], "Stochastic simulation results": [[153, "stochastic-simulation-results"]], "The forces don\u2019t sum to zero": [[153, "the-forces-don-t-sum-to-zero"]], "Intro and background on OCP and DFT": [[154, "intro-and-background-on-ocp-and-dft"]], "Abstract": [[154, "abstract"]], "Walkthrough video": [[154, "walkthrough-video"]], "Datasets / Tasks": [[154, "datasets-tasks"]], "Checkpoints": [[154, "checkpoints"]], "Goals for this tutorial": [[154, "goals-for-this-tutorial"]], "About the compute environment": [[154, "about-the-compute-environment"]], "Open Catalyst Intro Series": [[155, "open-catalyst-intro-series"]], "Technical presentations": [[156, "technical-presentations"]]}, "indexentries": {"balancedbatchsampler (class in ocpmodels.common.data_parallel)": [[1, "ocpmodels.common.data_parallel.BalancedBatchSampler"]], "ocpcollater (class in ocpmodels.common.data_parallel)": [[1, "ocpmodels.common.data_parallel.OCPCollater"]], "statefuldistributedsampler (class in ocpmodels.common.data_parallel)": [[1, "ocpmodels.common.data_parallel.StatefulDistributedSampler"]], "_hasmetadata (class in ocpmodels.common.data_parallel)": [[1, "ocpmodels.common.data_parallel._HasMetadata"]], "__call__() 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method)": [[52, "ocpmodels.models.escn.escn.SO2Block.forward"]], "forward() (ocpmodels.models.escn.escn.so2conv method)": [[52, "ocpmodels.models.escn.escn.SO2Conv.forward"]], "forward() (ocpmodels.models.escn.escn.escn method)": [[52, "ocpmodels.models.escn.escn.eSCN.forward"]], "num_params (ocpmodels.models.escn.escn.escn property)": [[52, "ocpmodels.models.escn.escn.eSCN.num_params"]], "ocpmodels.models.escn.escn": [[52, "module-ocpmodels.models.escn.escn"]], "_init_edge_rot_mat() (ocpmodels.models.escn.escn method)": [[53, "ocpmodels.models.escn.eSCN._init_edge_rot_mat"]], "escn (class in ocpmodels.models.escn)": [[53, "ocpmodels.models.escn.eSCN"]], "forward() (ocpmodels.models.escn.escn method)": [[53, "ocpmodels.models.escn.eSCN.forward"]], "num_params (ocpmodels.models.escn.escn property)": [[53, "ocpmodels.models.escn.eSCN.num_params"]], "ocpmodels.models.escn": [[53, "module-ocpmodels.models.escn"]], "coefficientmapping (class in ocpmodels.models.escn.so3)": [[54, "ocpmodels.models.escn.so3.CoefficientMapping"]], "rotationtowignerdmatrix() (ocpmodels.models.escn.so3.so3_rotation method)": [[54, "ocpmodels.models.escn.so3.SO3_Rotation.RotationToWignerDMatrix"]], "so3_embedding (class in ocpmodels.models.escn.so3)": [[54, "ocpmodels.models.escn.so3.SO3_Embedding"]], "so3_grid (class in ocpmodels.models.escn.so3)": [[54, "ocpmodels.models.escn.so3.SO3_Grid"]], "so3_rotation (class in ocpmodels.models.escn.so3)": [[54, "ocpmodels.models.escn.so3.SO3_Rotation"]], "_jd (in module ocpmodels.models.escn.so3)": [[54, "ocpmodels.models.escn.so3._Jd"]], "_expand_edge() (ocpmodels.models.escn.so3.so3_embedding method)": [[54, "ocpmodels.models.escn.so3.SO3_Embedding._expand_edge"]], "_from_grid() (ocpmodels.models.escn.so3.so3_embedding method)": [[54, "ocpmodels.models.escn.so3.SO3_Embedding._from_grid"]], "_grid_act() (ocpmodels.models.escn.so3.so3_embedding method)": [[54, "ocpmodels.models.escn.so3.SO3_Embedding._grid_act"]], "_initialize() (ocpmodels.models.escn.so3.so3_grid method)": [[54, "ocpmodels.models.escn.so3.SO3_Grid._initialize"]], "_l_primary() (ocpmodels.models.escn.so3.so3_embedding method)": [[54, "ocpmodels.models.escn.so3.SO3_Embedding._l_primary"]], "_m_primary() (ocpmodels.models.escn.so3.so3_embedding method)": [[54, "ocpmodels.models.escn.so3.SO3_Embedding._m_primary"]], "_reduce_edge() (ocpmodels.models.escn.so3.so3_embedding method)": [[54, "ocpmodels.models.escn.so3.SO3_Embedding._reduce_edge"]], "_rotate() (ocpmodels.models.escn.so3.so3_embedding method)": [[54, "ocpmodels.models.escn.so3.SO3_Embedding._rotate"]], "_rotate_inv() (ocpmodels.models.escn.so3.so3_embedding method)": [[54, "ocpmodels.models.escn.so3.SO3_Embedding._rotate_inv"]], "_z_rot_mat() (ocpmodels.models.escn.so3.so3_rotation method)": [[54, "ocpmodels.models.escn.so3.SO3_Rotation._z_rot_mat"]], "clone() (ocpmodels.models.escn.so3.so3_embedding method)": [[54, "ocpmodels.models.escn.so3.SO3_Embedding.clone"]], "coefficient_idx() (ocpmodels.models.escn.so3.coefficientmapping method)": [[54, "ocpmodels.models.escn.so3.CoefficientMapping.coefficient_idx"]], "complex_idx() (ocpmodels.models.escn.so3.coefficientmapping method)": [[54, "ocpmodels.models.escn.so3.CoefficientMapping.complex_idx"]], "expand_edge() (ocpmodels.models.escn.so3.so3_embedding method)": [[54, "ocpmodels.models.escn.so3.SO3_Embedding.expand_edge"]], "from_grid() (ocpmodels.models.escn.so3.so3_grid method)": [[54, "ocpmodels.models.escn.so3.SO3_Grid.from_grid"]], "get_from_grid_mat() (ocpmodels.models.escn.so3.so3_grid method)": [[54, "ocpmodels.models.escn.so3.SO3_Grid.get_from_grid_mat"]], "get_to_grid_mat() (ocpmodels.models.escn.so3.so3_grid method)": [[54, "ocpmodels.models.escn.so3.SO3_Grid.get_to_grid_mat"]], "ocpmodels.models.escn.so3": [[54, "module-ocpmodels.models.escn.so3"]], "rotate() (ocpmodels.models.escn.so3.so3_rotation method)": [[54, "ocpmodels.models.escn.so3.SO3_Rotation.rotate"]], "rotate_inv() (ocpmodels.models.escn.so3.so3_rotation method)": [[54, "ocpmodels.models.escn.so3.SO3_Rotation.rotate_inv"]], "set_embedding() (ocpmodels.models.escn.so3.so3_embedding method)": [[54, "ocpmodels.models.escn.so3.SO3_Embedding.set_embedding"]], "set_lmax() (ocpmodels.models.escn.so3.so3_rotation method)": [[54, "ocpmodels.models.escn.so3.SO3_Rotation.set_lmax"]], "set_lmax_mmax() (ocpmodels.models.escn.so3.so3_embedding method)": [[54, "ocpmodels.models.escn.so3.SO3_Embedding.set_lmax_mmax"]], "to_grid() (ocpmodels.models.escn.so3.so3_embedding method)": [[54, "ocpmodels.models.escn.so3.SO3_Embedding.to_grid"]], "to_grid() (ocpmodels.models.escn.so3.so3_grid method)": [[54, "ocpmodels.models.escn.so3.SO3_Grid.to_grid"]], "wigner_d() (ocpmodels.models.escn.so3.so3_rotation method)": [[54, "ocpmodels.models.escn.so3.SO3_Rotation.wigner_D"]], "gemnett (class in ocpmodels.models.gemnet.gemnet)": [[55, "ocpmodels.models.gemnet.gemnet.GemNetT"]], "forward() (ocpmodels.models.gemnet.gemnet.gemnett method)": [[55, "ocpmodels.models.gemnet.gemnet.GemNetT.forward"]], "generate_interaction_graph() (ocpmodels.models.gemnet.gemnet.gemnett method)": [[55, "ocpmodels.models.gemnet.gemnet.GemNetT.generate_interaction_graph"]], "get_triplets() (ocpmodels.models.gemnet.gemnet.gemnett method)": [[55, "ocpmodels.models.gemnet.gemnet.GemNetT.get_triplets"]], "num_params (ocpmodels.models.gemnet.gemnet.gemnett property)": [[55, "ocpmodels.models.gemnet.gemnet.GemNetT.num_params"]], "ocpmodels.models.gemnet.gemnet": [[55, "module-ocpmodels.models.gemnet.gemnet"]], "reorder_symmetric_edges() (ocpmodels.models.gemnet.gemnet.gemnett method)": [[55, "ocpmodels.models.gemnet.gemnet.GemNetT.reorder_symmetric_edges"]], "select_edges() (ocpmodels.models.gemnet.gemnet.gemnett method)": [[55, "ocpmodels.models.gemnet.gemnet.GemNetT.select_edges"]], "select_symmetric_edges() (ocpmodels.models.gemnet.gemnet.gemnett method)": [[55, "ocpmodels.models.gemnet.gemnet.GemNetT.select_symmetric_edges"]], "ocpmodels.models.gemnet": [[56, "module-ocpmodels.models.gemnet"]], "_standardize() (in module ocpmodels.models.gemnet.initializers)": [[57, "ocpmodels.models.gemnet.initializers._standardize"]], "he_orthogonal_init() (in module ocpmodels.models.gemnet.initializers)": [[57, "ocpmodels.models.gemnet.initializers.he_orthogonal_init"]], "ocpmodels.models.gemnet.initializers": [[57, "module-ocpmodels.models.gemnet.initializers"]], "atomupdateblock (class in ocpmodels.models.gemnet.layers.atom_update_block)": [[58, "ocpmodels.models.gemnet.layers.atom_update_block.AtomUpdateBlock"]], "outputblock (class in ocpmodels.models.gemnet.layers.atom_update_block)": [[58, "ocpmodels.models.gemnet.layers.atom_update_block.OutputBlock"]], "forward() (ocpmodels.models.gemnet.layers.atom_update_block.atomupdateblock method)": [[58, "ocpmodels.models.gemnet.layers.atom_update_block.AtomUpdateBlock.forward"]], "forward() (ocpmodels.models.gemnet.layers.atom_update_block.outputblock method)": [[58, "ocpmodels.models.gemnet.layers.atom_update_block.OutputBlock.forward"]], "get_mlp() (ocpmodels.models.gemnet.layers.atom_update_block.atomupdateblock method)": [[58, "ocpmodels.models.gemnet.layers.atom_update_block.AtomUpdateBlock.get_mlp"]], "ocpmodels.models.gemnet.layers.atom_update_block": [[58, "module-ocpmodels.models.gemnet.layers.atom_update_block"]], "reset_parameters() (ocpmodels.models.gemnet.layers.atom_update_block.outputblock method)": [[58, "ocpmodels.models.gemnet.layers.atom_update_block.OutputBlock.reset_parameters"]], "dense (class in ocpmodels.models.gemnet.layers.base_layers)": [[59, "ocpmodels.models.gemnet.layers.base_layers.Dense"]], "residuallayer (class in ocpmodels.models.gemnet.layers.base_layers)": [[59, "ocpmodels.models.gemnet.layers.base_layers.ResidualLayer"]], "scaledsilu (class in ocpmodels.models.gemnet.layers.base_layers)": [[59, 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method)": [[62, "ocpmodels.models.gemnet.layers.embedding_block.EdgeEmbedding.forward"]], "ocpmodels.models.gemnet.layers.embedding_block": [[62, "module-ocpmodels.models.gemnet.layers.embedding_block"]], "ocpmodels.models.gemnet.layers": [[63, "module-ocpmodels.models.gemnet.layers"]], "interactionblocktripletsonly (class in ocpmodels.models.gemnet.layers.interaction_block)": [[64, "ocpmodels.models.gemnet.layers.interaction_block.InteractionBlockTripletsOnly"]], "tripletinteraction (class in ocpmodels.models.gemnet.layers.interaction_block)": [[64, "ocpmodels.models.gemnet.layers.interaction_block.TripletInteraction"]], "forward() (ocpmodels.models.gemnet.layers.interaction_block.interactionblocktripletsonly method)": [[64, "ocpmodels.models.gemnet.layers.interaction_block.InteractionBlockTripletsOnly.forward"]], "forward() (ocpmodels.models.gemnet.layers.interaction_block.tripletinteraction method)": [[64, 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"ocpmodels.models.gemnet_gp.layers.interaction_block.TripletInteraction.forward"]], "ocpmodels.models.gemnet_gp.layers.interaction_block": [[77, "module-ocpmodels.models.gemnet_gp.layers.interaction_block"]], "bernsteinbasis (class in ocpmodels.models.gemnet_gp.layers.radial_basis)": [[78, "ocpmodels.models.gemnet_gp.layers.radial_basis.BernsteinBasis"]], "exponentialenvelope (class in ocpmodels.models.gemnet_gp.layers.radial_basis)": [[78, "ocpmodels.models.gemnet_gp.layers.radial_basis.ExponentialEnvelope"]], "polynomialenvelope (class in ocpmodels.models.gemnet_gp.layers.radial_basis)": [[78, "ocpmodels.models.gemnet_gp.layers.radial_basis.PolynomialEnvelope"]], "radialbasis (class in ocpmodels.models.gemnet_gp.layers.radial_basis)": [[78, "ocpmodels.models.gemnet_gp.layers.radial_basis.RadialBasis"]], "sphericalbesselbasis (class in ocpmodels.models.gemnet_gp.layers.radial_basis)": [[78, "ocpmodels.models.gemnet_gp.layers.radial_basis.SphericalBesselBasis"]], "forward() 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ocpmodels.models.gemnet_gp.layers.spherical_basis)": [[79, "ocpmodels.models.gemnet_gp.layers.spherical_basis.CircularBasisLayer"]], "forward() (ocpmodels.models.gemnet_gp.layers.spherical_basis.circularbasislayer method)": [[79, "ocpmodels.models.gemnet_gp.layers.spherical_basis.CircularBasisLayer.forward"]], "ocpmodels.models.gemnet_gp.layers.spherical_basis": [[79, "module-ocpmodels.models.gemnet_gp.layers.spherical_basis"]], "calculate_interatomic_vectors() (in module ocpmodels.models.gemnet_gp.utils)": [[80, "ocpmodels.models.gemnet_gp.utils.calculate_interatomic_vectors"]], "inner_product_normalized() (in module ocpmodels.models.gemnet_gp.utils)": [[80, "ocpmodels.models.gemnet_gp.utils.inner_product_normalized"]], "mask_neighbors() (in module ocpmodels.models.gemnet_gp.utils)": [[80, "ocpmodels.models.gemnet_gp.utils.mask_neighbors"]], "ocpmodels.models.gemnet_gp.utils": [[80, "module-ocpmodels.models.gemnet_gp.utils"]], "ragged_range() (in module ocpmodels.models.gemnet_gp.utils)": [[80, "ocpmodels.models.gemnet_gp.utils.ragged_range"]], "read_json() (in module ocpmodels.models.gemnet_gp.utils)": [[80, "ocpmodels.models.gemnet_gp.utils.read_json"]], "read_value_json() (in module ocpmodels.models.gemnet_gp.utils)": [[80, "ocpmodels.models.gemnet_gp.utils.read_value_json"]], "repeat_blocks() (in module ocpmodels.models.gemnet_gp.utils)": [[80, "ocpmodels.models.gemnet_gp.utils.repeat_blocks"]], "update_json() (in module ocpmodels.models.gemnet_gp.utils)": [[80, "ocpmodels.models.gemnet_gp.utils.update_json"]], "write_json() (in module ocpmodels.models.gemnet_gp.utils)": [[80, "ocpmodels.models.gemnet_gp.utils.write_json"]], "gemnetoc (class in ocpmodels.models.gemnet_oc.gemnet_oc)": [[81, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC"]], "calculate_quad_angles() (ocpmodels.models.gemnet_oc.gemnet_oc.gemnetoc method)": [[81, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC.calculate_quad_angles"]], "forward() 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ocpmodels.models.gemnet_oc.interaction_indices)": [[84, "ocpmodels.models.gemnet_oc.interaction_indices.get_mixed_triplets"]], "get_quadruplets() (in module ocpmodels.models.gemnet_oc.interaction_indices)": [[84, "ocpmodels.models.gemnet_oc.interaction_indices.get_quadruplets"]], "get_triplets() (in module ocpmodels.models.gemnet_oc.interaction_indices)": [[84, "ocpmodels.models.gemnet_oc.interaction_indices.get_triplets"]], "ocpmodels.models.gemnet_oc.interaction_indices": [[84, "module-ocpmodels.models.gemnet_oc.interaction_indices"]], "atomupdateblock (class in ocpmodels.models.gemnet_oc.layers.atom_update_block)": [[85, "ocpmodels.models.gemnet_oc.layers.atom_update_block.AtomUpdateBlock"]], "outputblock (class in ocpmodels.models.gemnet_oc.layers.atom_update_block)": [[85, "ocpmodels.models.gemnet_oc.layers.atom_update_block.OutputBlock"]], "forward() (ocpmodels.models.gemnet_oc.layers.atom_update_block.atomupdateblock method)": [[85, 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"ocpmodels.models.scn.spherical_harmonics": [[105, "module-ocpmodels.models.scn.spherical_harmonics"]], "wigner_d() (in module ocpmodels.models.scn.spherical_harmonics)": [[105, "ocpmodels.models.scn.spherical_harmonics.wigner_D"]], "act (class in ocpmodels.models.utils.activations)": [[106, "ocpmodels.models.utils.activations.Act"]], "forward() (ocpmodels.models.utils.activations.act method)": [[106, "ocpmodels.models.utils.activations.Act.forward"]], "ocpmodels.models.utils.activations": [[106, "module-ocpmodels.models.utils.activations"]], "basis (class in ocpmodels.models.utils.basis)": [[107, "ocpmodels.models.utils.basis.Basis"]], "fouriersmearing (class in ocpmodels.models.utils.basis)": [[107, "ocpmodels.models.utils.basis.FourierSmearing"]], "gaussiansmearing (class in ocpmodels.models.utils.basis)": [[107, "ocpmodels.models.utils.basis.GaussianSmearing"]], "sinesmearing (class in ocpmodels.models.utils.basis)": [[107, "ocpmodels.models.utils.basis.SINESmearing"]], "siren 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class=\"pre\">ocpmodels.common.tutorial_utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.common.typing</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.common.utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.datasets._utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.datasets.ase_datasets</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.datasets.embeddings.atomic_radii</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.datasets.embeddings.continuous_embeddings</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.datasets.embeddings</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.datasets.embeddings.khot_embeddings</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.datasets.embeddings.qmof_khot_embeddings</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.datasets</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.datasets.lmdb_database</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.datasets.lmdb_dataset</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.datasets.oc22_lmdb_dataset</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.datasets.target_metadata_guesser</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.base</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.dimenet_plus_plus</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.activation</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.drop</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.edge_rot_mat</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.equiformer_v2_oc20</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.gaussian_rbf</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.input_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.layer_norm</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.module_list</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.radial_function</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.so2_ops</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.so3</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.trainers.energy_trainer</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.trainers.forces_trainer</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.trainers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.trainers.lr_scheduler</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.transformer_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.equiformer_v2.wigner</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.escn.escn</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.escn</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.escn.so3</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.gemnet</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.initializers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.atom_update_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.base_layers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.basis_utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.efficient</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.embedding_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.interaction_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.radial_basis</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.layers.spherical_basis</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet.utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.gemnet</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.initializers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.atom_update_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.base_layers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.basis_utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.efficient</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.embedding_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.interaction_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.radial_basis</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.layers.spherical_basis</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_gp.utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.gemnet_oc</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.initializers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.interaction_indices</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.atom_update_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.base_layers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.basis_utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.efficient</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.embedding_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.force_scaler</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.interaction_block</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.radial_basis</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.layers.spherical_basis</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.gemnet_oc.utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.model_registry</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.painn</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.painn.painn</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.painn.utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.schnet</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.scn</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.scn.sampling</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.scn.scn</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.scn.smearing</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.scn.spherical_harmonics</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.utils.activations</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.utils.basis</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.models.utils</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.evaluator</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.exponential_moving_average</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.loss</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.normalizer</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.scaling.compat</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.scaling.fit</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.scaling</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.scaling.scale_factor</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.scaling.util</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.scheduler</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.modules.transforms</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.preprocessing.atoms_to_graphs</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.preprocessing</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.tasks</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.tasks.task</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.trainers.base_trainer</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.trainers</span></code>", "<code class=\"xref py py-mod docutils literal notranslate\"><span class=\"pre\">ocpmodels.trainers.ocp_trainer</span></code>", "Frequently Asked Questions", "Installation", "License", "Pretrained OCP model checkpoints", "Quickstart simulation using pre-trained models", "Training and evaluating models on OCP datasets", "Open Catalyst 2020 (OC20)", "Open Catalyst 2022 (OC22)", "Open Direct Air Capture 2023 (ODAC23)", "Notebook execution times", "<code class=\"docutils literal notranslate\"><span class=\"pre\">ocp</span></code> by Open Catalyst Project", "Open Catalyst Project Tutorial Notebook", "OCP Data Preprocessing Tutorial", "OCP Data Visualization", "Legacy [deprecated] Tutorials", "OCP LMDB Dataset Tutorial", "Using OCP to enumerate adsorbates on catalyst surfaces", "Using OCP to enumerate adsorbates on alloy catalyst surfaces", "Screening catalysts with OCP", "Simple simulations using the OCP ASE calculator", "Advanced OCP usage", "Working with embeddings", "Fine-tuning with Python", "Advanced example: Fine-tuning", "Mass inference", "Fine tuning a model", "Common gotchas with OCP", "Intro and background on OCP and DFT", "Open Catalyst Intro Series", "Technical presentations"], "terms": {"thi": [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 11, 13, 14, 15, 17, 18, 19, 23, 24, 25, 26, 27, 28, 30, 31, 32, 33, 34, 36, 37, 38, 40, 44, 45, 46, 51, 53, 54, 56, 57, 58, 59, 60, 61, 63, 64, 65, 66, 67, 69, 70, 71, 72, 73, 74, 76, 77, 78, 79, 80, 82, 83, 84, 85, 86, 87, 88, 89, 91, 92, 93, 94, 98, 99, 100, 102, 103, 104, 105, 106, 107, 109, 110, 111, 112, 113, 116, 117, 119, 121, 122, 124, 125, 127, 128, 130, 131, 132, 133, 134, 135, 137, 138, 139, 140, 141, 142, 143, 144, 145, 146, 147, 148, 149, 150, 151, 152, 153, 154], "page": [0, 131, 138, 139, 141], "contain": [0, 15, 17, 19, 25, 27, 28, 31, 32, 33, 34, 37, 40, 41, 44, 54, 58, 59, 67, 71, 72, 80, 83, 85, 86, 92, 98, 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relaxations": [[139, "visualize-ml-driven-relaxations"]], "Model development <a name=\"model-dev\"></a>": [[139, "model-development"]], "Atom and Edge Embeddings": [[139, "atom-and-edge-embeddings"]], "Message passing": [[139, "message-passing"]], "Training the model": [[139, "training-the-model"]], "Incorporating triplets and training GemNet-T": [[139, "incorporating-triplets-and-training-gemnet-t"]], "(Optional) OCP Calculator <a name=\"calc\"></a>": [[139, "optional-ocp-calculator"]], "Using the OCP Calculator": [[139, "using-the-ocp-calculator"]], "(Optional) Creating your own LMDBs for use in the OCP repository": [[139, "optional-creating-your-own-lmdbs-for-use-in-the-ocp-repository"]], "Initial Structure to Relaxed Energy (IS2RE) LMDBs": [[139, "initial-structure-to-relaxed-energy-is2re-lmdbs"]], "Structure to Energy and Forces (S2EF) LMDBs": [[139, "structure-to-energy-and-forces-s2ef-lmdbs"], [143, "structure-to-energy-and-forces-s2ef-lmdbs"]], "Running on command line [Preferred way to train models] <a name=\"cmd\"></a>": [[139, "running-on-command-line-preferred-way-to-train-models"]], "Limitations <a name=\"limit\"></a>": [[139, "limitations"]], "Next Steps <a name=\"steps\"></a>": [[139, "next-steps"]], "References": [[139, "references"]], "OCP Data Preprocessing Tutorial": [[140, "ocp-data-preprocessing-tutorial"]], "Generate toy dataset: Relaxation of CO on Cu": [[140, "generate-toy-dataset-relaxation-of-co-on-cu"], [143, "generate-toy-dataset-relaxation-of-co-on-cu"]], "Convert Atoms object to Data object": [[140, "convert-atoms-object-to-data-object"]], "Adding additional info to your Data objects": [[140, "adding-additional-info-to-your-data-objects"]], "OCP Data Visualization": [[141, "ocp-data-visualization"]], "Saving a trajectory video": [[141, "saving-a-trajectory-video"]], "Data contents": [[141, "data-contents"]], "Energy": [[141, "energy"]], "Forces": [[141, "forces"]], "Resources": [[141, "resources"]], "Legacy [deprecated] Tutorials": [[142, "legacy-deprecated-tutorials"]], "OCP LMDB Dataset Tutorial": [[143, "ocp-lmdb-dataset-tutorial"]], "Initial Structure to Relaxed Energy/Structure (IS2RE/IS2RS) LMDBs": [[143, "initial-structure-to-relaxed-energy-structure-is2re-is2rs-lmdbs"]], "Initialize AtomsToGraph feature extractor": [[143, "initialize-atomstograph-feature-extractor"]], "Initialize LMDB file": [[143, "initialize-lmdb-file"]], "Write data to LMDB": [[143, "write-data-to-lmdb"]], "Advanced usage": [[143, "advanced-usage"]], "Interacting with the LMDBs": [[143, "interacting-with-the-lmdbs"]], "Using OCP to enumerate adsorbates on catalyst surfaces": [[144, "using-ocp-to-enumerate-adsorbates-on-catalyst-surfaces"]], "Introduction": [[144, "introduction"], [145, "introduction"], [155, "introduction"]], "Enumerate the adsorbate-slab configurations to run relaxations on": [[144, "enumerate-the-adsorbate-slab-configurations-to-run-relaxations-on"], [145, "enumerate-the-adsorbate-slab-configurations-to-run-relaxations-on"]], "Work out a single example": [[144, "work-out-a-single-example"], [145, "work-out-a-single-example"]], "Run an ML relaxation": [[144, "run-an-ml-relaxation"], [145, "run-an-ml-relaxation"]], "Run all the systems": [[144, "run-all-the-systems"], [145, "run-all-the-systems"]], "Parse the trajectories and post-process": [[144, "parse-the-trajectories-and-post-process"], [145, "parse-the-trajectories-and-post-process"]], "Make parity plots for values obtained by ML v. reported in the paper": [[144, "make-parity-plots-for-values-obtained-by-ml-v-reported-in-the-paper"], [145, "make-parity-plots-for-values-obtained-by-ml-v-reported-in-the-paper"]], "Make figure 6b and compare to literature results": [[144, "make-figure-6b-and-compare-to-literature-results"], [145, "make-figure-6b-and-compare-to-literature-results"]], "Using OCP to enumerate adsorbates on alloy catalyst surfaces": [[145, "using-ocp-to-enumerate-adsorbates-on-alloy-catalyst-surfaces"]], "Next steps": [[145, "next-steps"], [147, "next-steps"], [153, "next-steps"]], "Screening catalysts with OCP": [[146, "screening-catalysts-with-ocp"]], "Simple simulations using the OCP ASE calculator": [[147, "simple-simulations-using-the-ocp-ase-calculator"]], "Calculating adsorption energies": [[147, "calculating-adsorption-energies"]], "Exercises": [[147, "exercises"], [147, "id1"]], "Trends in adsorption energies across metals.": [[147, "trends-in-adsorption-energies-across-metals"]], "Site correlations": [[147, "site-correlations"]], "Convergence study": [[147, "convergence-study"]], "Effects of number of layers": [[147, "effects-of-number-of-layers"]], "Effects of relaxation": [[147, "effects-of-relaxation"]], "Unit cell size": [[147, "unit-cell-size"]], "Summary": [[147, "summary"]], "Advanced OCP usage": [[148, "advanced-ocp-usage"]], "Working with embeddings": [[149, "working-with-embeddings"]], "A diagnostic example": [[149, "a-diagnostic-example"]], "Bulk Cu equation of state example": [[149, "bulk-cu-equation-of-state-example"]], "A clustering example": [[149, "a-clustering-example"]], "Clustering individual atoms": [[149, "clustering-individual-atoms"]], "A simple vector search example": [[149, "a-simple-vector-search-example"]], "Fine-tuning with Python": [[150, "fine-tuning-with-python"]], "Split the data into train, test, val sets": [[150, "split-the-data-into-train-test-val-sets"]], "Setup the training code": [[150, "setup-the-training-code"]], "Setup the training task": [[150, "setup-the-training-task"]], "Run the training task": [[150, "run-the-training-task"]], "Advanced example: Fine-tuning": [[151, "advanced-example-fine-tuning"]], "Mass inference": [[152, "mass-inference"]], "The ASE calculator way": [[152, "the-ase-calculator-way"]], "Comparing ASE calculator and main.py": [[152, "comparing-ase-calculator-and-main-py"]], "Fine tuning a model": [[153, "fine-tuning-a-model"]], "Fine tuning the checkpoint": [[153, "fine-tuning-the-checkpoint"]], "Make the train, test, val splits": [[153, "make-the-train-test-val-splits"]], "Setting up the configuration yaml file": [[153, "setting-up-the-configuration-yaml-file"]], "Running the training job": [[153, "running-the-training-job"]], "Common gotchas with OCP": [[154, "common-gotchas-with-ocp"]], "OutOfMemoryError": [[154, "outofmemoryerror"]], "I want the energy of a gas phase atom": [[154, "i-want-the-energy-of-a-gas-phase-atom"]], "I get wildly different energies from the different models": [[154, "i-get-wildly-different-energies-from-the-different-models"]], "Miscellaneous warnings": [[154, "miscellaneous-warnings"]], "Unrecognized arguments": [[154, "unrecognized-arguments"]], "Unable to identify OCP trainer": [[154, "unable-to-identify-ocp-trainer"]], "Request entity too large - can\u2019t save your Notebook": [[154, "request-entity-too-large-can-t-save-your-notebook"]], "You need at least four atoms for molecules with some models": [[154, "you-need-at-least-four-atoms-for-molecules-with-some-models"]], "To tag or not?": [[154, "to-tag-or-not"]], "Stochastic simulation results": [[154, "stochastic-simulation-results"]], "The forces don\u2019t sum to zero": [[154, "the-forces-don-t-sum-to-zero"]], "Intro and background on OCP and DFT": [[155, "intro-and-background-on-ocp-and-dft"]], "Abstract": [[155, "abstract"]], "Walkthrough video": [[155, "walkthrough-video"]], "Datasets / Tasks": [[155, "datasets-tasks"]], "Checkpoints": [[155, "checkpoints"]], "Goals for this tutorial": [[155, "goals-for-this-tutorial"]], "About the compute environment": [[155, "about-the-compute-environment"]], "Open Catalyst Intro Series": [[156, "open-catalyst-intro-series"]], "Technical presentations": [[157, "technical-presentations"]]}, "indexentries": {"balancedbatchsampler (class in ocpmodels.common.data_parallel)": [[1, "ocpmodels.common.data_parallel.BalancedBatchSampler"]], "ocpcollater (class in 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"ocpmodels.models.gemnet_gp.layers.basis_utils.spherical_bessel_formulas"]], "efficientinteractionbilinear (class in ocpmodels.models.gemnet_gp.layers.efficient)": [[73, "ocpmodels.models.gemnet_gp.layers.efficient.EfficientInteractionBilinear"]], "efficientinteractiondownprojection (class in ocpmodels.models.gemnet_gp.layers.efficient)": [[73, "ocpmodels.models.gemnet_gp.layers.efficient.EfficientInteractionDownProjection"]], "forward() (ocpmodels.models.gemnet_gp.layers.efficient.efficientinteractionbilinear method)": [[73, "ocpmodels.models.gemnet_gp.layers.efficient.EfficientInteractionBilinear.forward"]], "forward() (ocpmodels.models.gemnet_gp.layers.efficient.efficientinteractiondownprojection method)": [[73, "ocpmodels.models.gemnet_gp.layers.efficient.EfficientInteractionDownProjection.forward"]], "ocpmodels.models.gemnet_gp.layers.efficient": [[73, "module-ocpmodels.models.gemnet_gp.layers.efficient"]], "reset_parameters() 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"ocpmodels.models.gemnet_gp.layers.interaction_block.TripletInteraction.forward"]], "ocpmodels.models.gemnet_gp.layers.interaction_block": [[76, "module-ocpmodels.models.gemnet_gp.layers.interaction_block"]], "bernsteinbasis (class in ocpmodels.models.gemnet_gp.layers.radial_basis)": [[77, "ocpmodels.models.gemnet_gp.layers.radial_basis.BernsteinBasis"]], "exponentialenvelope (class in ocpmodels.models.gemnet_gp.layers.radial_basis)": [[77, "ocpmodels.models.gemnet_gp.layers.radial_basis.ExponentialEnvelope"]], "polynomialenvelope (class in ocpmodels.models.gemnet_gp.layers.radial_basis)": [[77, "ocpmodels.models.gemnet_gp.layers.radial_basis.PolynomialEnvelope"]], "radialbasis (class in ocpmodels.models.gemnet_gp.layers.radial_basis)": [[77, "ocpmodels.models.gemnet_gp.layers.radial_basis.RadialBasis"]], "sphericalbesselbasis (class in ocpmodels.models.gemnet_gp.layers.radial_basis)": [[77, "ocpmodels.models.gemnet_gp.layers.radial_basis.SphericalBesselBasis"]], "forward() 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ocpmodels.models.gemnet_gp.layers.spherical_basis)": [[78, "ocpmodels.models.gemnet_gp.layers.spherical_basis.CircularBasisLayer"]], "forward() (ocpmodels.models.gemnet_gp.layers.spherical_basis.circularbasislayer method)": [[78, "ocpmodels.models.gemnet_gp.layers.spherical_basis.CircularBasisLayer.forward"]], "ocpmodels.models.gemnet_gp.layers.spherical_basis": [[78, "module-ocpmodels.models.gemnet_gp.layers.spherical_basis"]], "calculate_interatomic_vectors() (in module ocpmodels.models.gemnet_gp.utils)": [[79, "ocpmodels.models.gemnet_gp.utils.calculate_interatomic_vectors"]], "inner_product_normalized() (in module ocpmodels.models.gemnet_gp.utils)": [[79, "ocpmodels.models.gemnet_gp.utils.inner_product_normalized"]], "mask_neighbors() (in module ocpmodels.models.gemnet_gp.utils)": [[79, "ocpmodels.models.gemnet_gp.utils.mask_neighbors"]], "ocpmodels.models.gemnet_gp.utils": [[79, "module-ocpmodels.models.gemnet_gp.utils"]], "ragged_range() (in module ocpmodels.models.gemnet_gp.utils)": [[79, "ocpmodels.models.gemnet_gp.utils.ragged_range"]], "read_json() (in module ocpmodels.models.gemnet_gp.utils)": [[79, "ocpmodels.models.gemnet_gp.utils.read_json"]], "read_value_json() (in module ocpmodels.models.gemnet_gp.utils)": [[79, "ocpmodels.models.gemnet_gp.utils.read_value_json"]], "repeat_blocks() (in module ocpmodels.models.gemnet_gp.utils)": [[79, "ocpmodels.models.gemnet_gp.utils.repeat_blocks"]], "update_json() (in module ocpmodels.models.gemnet_gp.utils)": [[79, "ocpmodels.models.gemnet_gp.utils.update_json"]], "write_json() (in module ocpmodels.models.gemnet_gp.utils)": [[79, "ocpmodels.models.gemnet_gp.utils.write_json"]], "gemnetoc (class in ocpmodels.models.gemnet_oc.gemnet_oc)": [[80, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC"]], "calculate_quad_angles() (ocpmodels.models.gemnet_oc.gemnet_oc.gemnetoc method)": [[80, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC.calculate_quad_angles"]], "forward() (ocpmodels.models.gemnet_oc.gemnet_oc.gemnetoc method)": [[80, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC.forward"]], "generate_graph_dict() (ocpmodels.models.gemnet_oc.gemnet_oc.gemnetoc method)": [[80, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC.generate_graph_dict"]], "get_bases() (ocpmodels.models.gemnet_oc.gemnet_oc.gemnetoc method)": [[80, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC.get_bases"]], "get_graphs_and_indices() (ocpmodels.models.gemnet_oc.gemnet_oc.gemnetoc method)": [[80, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC.get_graphs_and_indices"]], "init_basis_functions() (ocpmodels.models.gemnet_oc.gemnet_oc.gemnetoc method)": [[80, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC.init_basis_functions"]], "init_shared_basis_layers() (ocpmodels.models.gemnet_oc.gemnet_oc.gemnetoc method)": [[80, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC.init_shared_basis_layers"]], "num_params (ocpmodels.models.gemnet_oc.gemnet_oc.gemnetoc property)": [[80, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC.num_params"]], "ocpmodels.models.gemnet_oc.gemnet_oc": [[80, "module-ocpmodels.models.gemnet_oc.gemnet_oc"]], "select_symmetric_edges() (ocpmodels.models.gemnet_oc.gemnet_oc.gemnetoc method)": [[80, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC.select_symmetric_edges"]], "set_cutoffs() (ocpmodels.models.gemnet_oc.gemnet_oc.gemnetoc method)": [[80, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC.set_cutoffs"]], "set_max_neighbors() (ocpmodels.models.gemnet_oc.gemnet_oc.gemnetoc method)": [[80, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC.set_max_neighbors"]], "subselect_edges() (ocpmodels.models.gemnet_oc.gemnet_oc.gemnetoc method)": [[80, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC.subselect_edges"]], "subselect_graph() (ocpmodels.models.gemnet_oc.gemnet_oc.gemnetoc method)": [[80, "ocpmodels.models.gemnet_oc.gemnet_oc.GemNetOC.subselect_graph"]], "symmetrize_edges() (ocpmodels.models.gemnet_oc.gemnet_oc.gemnetoc method)": [[80, 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ocpmodels.models.gemnet_oc.interaction_indices)": [[83, "ocpmodels.models.gemnet_oc.interaction_indices.get_mixed_triplets"]], "get_quadruplets() (in module ocpmodels.models.gemnet_oc.interaction_indices)": [[83, "ocpmodels.models.gemnet_oc.interaction_indices.get_quadruplets"]], "get_triplets() (in module ocpmodels.models.gemnet_oc.interaction_indices)": [[83, "ocpmodels.models.gemnet_oc.interaction_indices.get_triplets"]], "ocpmodels.models.gemnet_oc.interaction_indices": [[83, "module-ocpmodels.models.gemnet_oc.interaction_indices"]], "atomupdateblock (class in ocpmodels.models.gemnet_oc.layers.atom_update_block)": [[84, "ocpmodels.models.gemnet_oc.layers.atom_update_block.AtomUpdateBlock"]], "outputblock (class in ocpmodels.models.gemnet_oc.layers.atom_update_block)": [[84, "ocpmodels.models.gemnet_oc.layers.atom_update_block.OutputBlock"]], "forward() (ocpmodels.models.gemnet_oc.layers.atom_update_block.atomupdateblock method)": [[84, 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"associated_legendre_polynomials() (in module ocpmodels.models.gemnet_oc.layers.basis_utils)": [[86, "ocpmodels.models.gemnet_oc.layers.basis_utils.associated_legendre_polynomials"]], "bessel_basis() (in module ocpmodels.models.gemnet_oc.layers.basis_utils)": [[86, "ocpmodels.models.gemnet_oc.layers.basis_utils.bessel_basis"]], "get_sph_harm_basis() (in module ocpmodels.models.gemnet_oc.layers.basis_utils)": [[86, "ocpmodels.models.gemnet_oc.layers.basis_utils.get_sph_harm_basis"]], "ocpmodels.models.gemnet_oc.layers.basis_utils": [[86, "module-ocpmodels.models.gemnet_oc.layers.basis_utils"]], "real_sph_harm() (in module ocpmodels.models.gemnet_oc.layers.basis_utils)": [[86, "ocpmodels.models.gemnet_oc.layers.basis_utils.real_sph_harm"]], "sph_harm_prefactor() (in module ocpmodels.models.gemnet_oc.layers.basis_utils)": [[86, "ocpmodels.models.gemnet_oc.layers.basis_utils.sph_harm_prefactor"]], "spherical_bessel_formulas() (in module ocpmodels.models.gemnet_oc.layers.basis_utils)": 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"module-ocpmodels.models.gemnet_oc.layers.embedding_block"]], "forcescaler (class in ocpmodels.models.gemnet_oc.layers.force_scaler)": [[89, "ocpmodels.models.gemnet_oc.layers.force_scaler.ForceScaler"]], "calc_forces() (ocpmodels.models.gemnet_oc.layers.force_scaler.forcescaler method)": [[89, "ocpmodels.models.gemnet_oc.layers.force_scaler.ForceScaler.calc_forces"]], "calc_forces_and_update() (ocpmodels.models.gemnet_oc.layers.force_scaler.forcescaler method)": [[89, "ocpmodels.models.gemnet_oc.layers.force_scaler.ForceScaler.calc_forces_and_update"]], "ocpmodels.models.gemnet_oc.layers.force_scaler": [[89, "module-ocpmodels.models.gemnet_oc.layers.force_scaler"]], "scale() (ocpmodels.models.gemnet_oc.layers.force_scaler.forcescaler method)": [[89, "ocpmodels.models.gemnet_oc.layers.force_scaler.ForceScaler.scale"]], "unscale() (ocpmodels.models.gemnet_oc.layers.force_scaler.forcescaler method)": [[89, "ocpmodels.models.gemnet_oc.layers.force_scaler.ForceScaler.unscale"]], "update() 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"ocpmodels.models.gemnet_oc.layers.radial_basis.ExponentialEnvelope.forward"]], "forward() (ocpmodels.models.gemnet_oc.layers.radial_basis.gaussianbasis method)": [[92, "ocpmodels.models.gemnet_oc.layers.radial_basis.GaussianBasis.forward"]], "forward() (ocpmodels.models.gemnet_oc.layers.radial_basis.polynomialenvelope method)": [[92, "ocpmodels.models.gemnet_oc.layers.radial_basis.PolynomialEnvelope.forward"]], "forward() (ocpmodels.models.gemnet_oc.layers.radial_basis.radialbasis method)": [[92, "ocpmodels.models.gemnet_oc.layers.radial_basis.RadialBasis.forward"]], "forward() (ocpmodels.models.gemnet_oc.layers.radial_basis.sphericalbesselbasis method)": [[92, "ocpmodels.models.gemnet_oc.layers.radial_basis.SphericalBesselBasis.forward"]], "ocpmodels.models.gemnet_oc.layers.radial_basis": [[92, "module-ocpmodels.models.gemnet_oc.layers.radial_basis"]], "circularbasislayer (class in ocpmodels.models.gemnet_oc.layers.spherical_basis)": [[93, "ocpmodels.models.gemnet_oc.layers.spherical_basis.CircularBasisLayer"]], "sphericalbasislayer (class in ocpmodels.models.gemnet_oc.layers.spherical_basis)": [[93, "ocpmodels.models.gemnet_oc.layers.spherical_basis.SphericalBasisLayer"]], "forward() (ocpmodels.models.gemnet_oc.layers.spherical_basis.circularbasislayer method)": [[93, "ocpmodels.models.gemnet_oc.layers.spherical_basis.CircularBasisLayer.forward"]], "forward() (ocpmodels.models.gemnet_oc.layers.spherical_basis.sphericalbasislayer method)": [[93, "ocpmodels.models.gemnet_oc.layers.spherical_basis.SphericalBasisLayer.forward"]], "ocpmodels.models.gemnet_oc.layers.spherical_basis": [[93, "module-ocpmodels.models.gemnet_oc.layers.spherical_basis"]], "calculate_interatomic_vectors() (in module ocpmodels.models.gemnet_oc.utils)": [[94, "ocpmodels.models.gemnet_oc.utils.calculate_interatomic_vectors"]], "get_angle() (in module ocpmodels.models.gemnet_oc.utils)": [[94, "ocpmodels.models.gemnet_oc.utils.get_angle"]], "get_edge_id() (in module ocpmodels.models.gemnet_oc.utils)": [[94, "ocpmodels.models.gemnet_oc.utils.get_edge_id"]], "get_inner_idx() (in module ocpmodels.models.gemnet_oc.utils)": [[94, "ocpmodels.models.gemnet_oc.utils.get_inner_idx"]], "get_neighbor_order() (in module ocpmodels.models.gemnet_oc.utils)": [[94, "ocpmodels.models.gemnet_oc.utils.get_neighbor_order"]], "get_projected_angle() (in module ocpmodels.models.gemnet_oc.utils)": [[94, "ocpmodels.models.gemnet_oc.utils.get_projected_angle"]], "inner_product_clamped() (in module ocpmodels.models.gemnet_oc.utils)": [[94, "ocpmodels.models.gemnet_oc.utils.inner_product_clamped"]], "mask_neighbors() (in module ocpmodels.models.gemnet_oc.utils)": [[94, "ocpmodels.models.gemnet_oc.utils.mask_neighbors"]], "masked_select_sparsetensor_flat() (in module ocpmodels.models.gemnet_oc.utils)": [[94, "ocpmodels.models.gemnet_oc.utils.masked_select_sparsetensor_flat"]], "ocpmodels.models.gemnet_oc.utils": [[94, "module-ocpmodels.models.gemnet_oc.utils"]], "ragged_range() (in module ocpmodels.models.gemnet_oc.utils)": [[94, "ocpmodels.models.gemnet_oc.utils.ragged_range"]], "repeat_blocks() (in module ocpmodels.models.gemnet_oc.utils)": [[94, "ocpmodels.models.gemnet_oc.utils.repeat_blocks"]], "vector_rejection() (in module ocpmodels.models.gemnet_oc.utils)": [[94, "ocpmodels.models.gemnet_oc.utils.vector_rejection"]], "available_pretrained_models (in module ocpmodels.models)": [[95, "ocpmodels.models.available_pretrained_models"]], "model_name_to_local_file() (in module ocpmodels.models)": [[95, "ocpmodels.models.model_name_to_local_file"]], "ocpmodels.models": [[95, "module-ocpmodels.models"]], "model_registry (in module ocpmodels.models.model_registry)": [[96, "ocpmodels.models.model_registry.MODEL_REGISTRY"]], "available_pretrained_models (in module ocpmodels.models.model_registry)": [[96, "ocpmodels.models.model_registry.available_pretrained_models"]], "model_name_to_local_file() (in module ocpmodels.models.model_registry)": [[96, "ocpmodels.models.model_registry.model_name_to_local_file"]], "ocpmodels.models.model_registry": [[96, "module-ocpmodels.models.model_registry"]], "ocpmodels.models.painn": [[97, "module-ocpmodels.models.painn"]], "gatedequivariantblock (class in ocpmodels.models.painn.painn)": [[98, "ocpmodels.models.painn.painn.GatedEquivariantBlock"]], "painn (class in ocpmodels.models.painn.painn)": [[98, "ocpmodels.models.painn.painn.PaiNN"]], "painnmessage (class in ocpmodels.models.painn.painn)": [[98, "ocpmodels.models.painn.painn.PaiNNMessage"]], "painnoutput (class in ocpmodels.models.painn.painn)": [[98, "ocpmodels.models.painn.painn.PaiNNOutput"]], "painnupdate (class in ocpmodels.models.painn.painn)": [[98, "ocpmodels.models.painn.painn.PaiNNUpdate"]], "__repr__() (ocpmodels.models.painn.painn.painn method)": [[98, "ocpmodels.models.painn.painn.PaiNN.__repr__"]], "aggregate() (ocpmodels.models.painn.painn.painnmessage method)": [[98, "ocpmodels.models.painn.painn.PaiNNMessage.aggregate"]], "forward() (ocpmodels.models.painn.painn.gatedequivariantblock method)": [[98, "ocpmodels.models.painn.painn.GatedEquivariantBlock.forward"]], "forward() (ocpmodels.models.painn.painn.painn method)": [[98, "ocpmodels.models.painn.painn.PaiNN.forward"]], "forward() (ocpmodels.models.painn.painn.painnmessage method)": [[98, "ocpmodels.models.painn.painn.PaiNNMessage.forward"]], "forward() (ocpmodels.models.painn.painn.painnoutput method)": [[98, "ocpmodels.models.painn.painn.PaiNNOutput.forward"]], "forward() (ocpmodels.models.painn.painn.painnupdate method)": [[98, "ocpmodels.models.painn.painn.PaiNNUpdate.forward"]], "generate_graph_values() (ocpmodels.models.painn.painn.painn method)": [[98, "ocpmodels.models.painn.painn.PaiNN.generate_graph_values"]], "message() (ocpmodels.models.painn.painn.painnmessage method)": [[98, "ocpmodels.models.painn.painn.PaiNNMessage.message"]], "num_params (ocpmodels.models.painn.painn.painn property)": [[98, "ocpmodels.models.painn.painn.PaiNN.num_params"]], "ocpmodels.models.painn.painn": [[98, "module-ocpmodels.models.painn.painn"]], "reset_parameters() (ocpmodels.models.painn.painn.gatedequivariantblock method)": [[98, "ocpmodels.models.painn.painn.GatedEquivariantBlock.reset_parameters"]], "reset_parameters() (ocpmodels.models.painn.painn.painn method)": [[98, "ocpmodels.models.painn.painn.PaiNN.reset_parameters"]], "reset_parameters() (ocpmodels.models.painn.painn.painnmessage method)": [[98, "ocpmodels.models.painn.painn.PaiNNMessage.reset_parameters"]], "reset_parameters() (ocpmodels.models.painn.painn.painnoutput method)": [[98, "ocpmodels.models.painn.painn.PaiNNOutput.reset_parameters"]], "reset_parameters() (ocpmodels.models.painn.painn.painnupdate method)": [[98, "ocpmodels.models.painn.painn.PaiNNUpdate.reset_parameters"]], "select_symmetric_edges() (ocpmodels.models.painn.painn.painn method)": [[98, "ocpmodels.models.painn.painn.PaiNN.select_symmetric_edges"]], "symmetrize_edges() (ocpmodels.models.painn.painn.painn method)": [[98, "ocpmodels.models.painn.painn.PaiNN.symmetrize_edges"]], "update() (ocpmodels.models.painn.painn.painnmessage method)": [[98, "ocpmodels.models.painn.painn.PaiNNMessage.update"]], "get_edge_id() (in module ocpmodels.models.painn.utils)": [[99, "ocpmodels.models.painn.utils.get_edge_id"]], "ocpmodels.models.painn.utils": [[99, "module-ocpmodels.models.painn.utils"]], "repeat_blocks() (in module ocpmodels.models.painn.utils)": [[99, "ocpmodels.models.painn.utils.repeat_blocks"]], "schnetwrap (class in ocpmodels.models.schnet)": [[100, "ocpmodels.models.schnet.SchNetWrap"]], "_forward() (ocpmodels.models.schnet.schnetwrap method)": [[100, "ocpmodels.models.schnet.SchNetWrap._forward"]], "forward() (ocpmodels.models.schnet.schnetwrap method)": [[100, "ocpmodels.models.schnet.SchNetWrap.forward"]], "num_params (ocpmodels.models.schnet.schnetwrap property)": 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"ocpmodels.models.scn.scn": [[103, "module-ocpmodels.models.scn.scn"]], "gaussiansmearing (class in ocpmodels.models.scn.smearing)": [[104, "ocpmodels.models.scn.smearing.GaussianSmearing"]], "linearsigmoidsmearing (class in ocpmodels.models.scn.smearing)": [[104, "ocpmodels.models.scn.smearing.LinearSigmoidSmearing"]], "silusmearing (class in ocpmodels.models.scn.smearing)": [[104, "ocpmodels.models.scn.smearing.SiLUSmearing"]], "sigmoidsmearing (class in ocpmodels.models.scn.smearing)": [[104, "ocpmodels.models.scn.smearing.SigmoidSmearing"]], "forward() (ocpmodels.models.scn.smearing.gaussiansmearing method)": [[104, "ocpmodels.models.scn.smearing.GaussianSmearing.forward"]], "forward() (ocpmodels.models.scn.smearing.linearsigmoidsmearing method)": [[104, "ocpmodels.models.scn.smearing.LinearSigmoidSmearing.forward"]], "forward() (ocpmodels.models.scn.smearing.silusmearing method)": [[104, "ocpmodels.models.scn.smearing.SiLUSmearing.forward"]], "forward() (ocpmodels.models.scn.smearing.sigmoidsmearing method)": [[104, "ocpmodels.models.scn.smearing.SigmoidSmearing.forward"]], "ocpmodels.models.scn.smearing": [[104, "module-ocpmodels.models.scn.smearing"]], "combineyrotations() (ocpmodels.models.scn.spherical_harmonics.sphericalharmonicshelper method)": [[105, "ocpmodels.models.scn.spherical_harmonics.SphericalHarmonicsHelper.CombineYRotations"]], "flipgrid() (ocpmodels.models.scn.spherical_harmonics.sphericalharmonicshelper method)": [[105, "ocpmodels.models.scn.spherical_harmonics.SphericalHarmonicsHelper.FlipGrid"]], "fromgrid() (ocpmodels.models.scn.spherical_harmonics.sphericalharmonicshelper method)": [[105, "ocpmodels.models.scn.spherical_harmonics.SphericalHarmonicsHelper.FromGrid"]], "initwignerdmatrix() (ocpmodels.models.scn.spherical_harmonics.sphericalharmonicshelper method)": [[105, "ocpmodels.models.scn.spherical_harmonics.SphericalHarmonicsHelper.InitWignerDMatrix"]], "inityrotmapping() 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"ocpmodels.models.utils.activations.Act"]], "forward() (ocpmodels.models.utils.activations.act method)": [[106, "ocpmodels.models.utils.activations.Act.forward"]], "ocpmodels.models.utils.activations": [[106, "module-ocpmodels.models.utils.activations"]], "basis (class in ocpmodels.models.utils.basis)": [[107, "ocpmodels.models.utils.basis.Basis"]], "fouriersmearing (class in ocpmodels.models.utils.basis)": [[107, "ocpmodels.models.utils.basis.FourierSmearing"]], "gaussiansmearing (class in ocpmodels.models.utils.basis)": [[107, "ocpmodels.models.utils.basis.GaussianSmearing"]], "sinesmearing (class in ocpmodels.models.utils.basis)": [[107, "ocpmodels.models.utils.basis.SINESmearing"]], "siren (class in ocpmodels.models.utils.basis)": [[107, "ocpmodels.models.utils.basis.SIREN"]], "sine (class in ocpmodels.models.utils.basis)": [[107, "ocpmodels.models.utils.basis.Sine"]], "sphericalsmearing (class in ocpmodels.models.utils.basis)": [[107, 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diff --git a/tutorials/NRR/NRR_example-gemnet.html b/tutorials/NRR/NRR_example-gemnet.html
index 1aebd25af..6fb5daeea 100644
--- a/tutorials/NRR/NRR_example-gemnet.html
+++ b/tutorials/NRR/NRR_example-gemnet.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
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diff --git a/tutorials/NRR/NRR_example.html b/tutorials/NRR/NRR_example.html
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+++ b/tutorials/NRR/NRR_example.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
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@@ -291,7 +293,6 @@
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@@ -320,6 +321,7 @@
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 </ul>
 </li>
@@ -684,7 +686,7 @@ <h3>Run an ML relaxation<a class="headerlink" href="#run-an-ml-relaxation" title
 <p>Running the model with BFGS prints at each relaxation step is a lot to print. So we will just run one to demonstrate what happens on each iteration.</p>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
-<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.common.model_registry</span> <span class="kn">import</span> <span class="n">model_name_to_local_file</span>
+<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.models.model_registry</span> <span class="kn">import</span> <span class="n">model_name_to_local_file</span>
 
 <span class="n">checkpoint_path</span> <span class="o">=</span> <span class="n">model_name_to_local_file</span><span class="p">(</span><span class="s1">&#39;eSCN-L6-M3-Lay20All+MD&#39;</span><span class="p">,</span> <span class="n">local_cache</span><span class="o">=</span><span class="s1">&#39;/tmp/ocp_checkpoints/&#39;</span><span class="p">)</span>
 
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@@ -177,9 +177,10 @@
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             </li>
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
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             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
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@@ -320,6 +321,7 @@
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+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
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 </ul>
 </li>
@@ -620,7 +622,7 @@ <h1>Calculating adsorption energies<a class="headerlink" href="#calculating-adso
 <p>The different models have different compute requirements. If you find your kernel is crashing, it probably means you have exceeded the allowed amount of memory. This checkpoint works fine in this example, but it may crash your kernel if you use it in the NRR example.</p>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
-<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.common.model_registry</span> <span class="kn">import</span> <span class="n">model_name_to_local_file</span>
+<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.models.model_registry</span> <span class="kn">import</span> <span class="n">model_name_to_local_file</span>
 
 <span class="n">checkpoint_path</span> <span class="o">=</span> <span class="n">model_name_to_local_file</span><span class="p">(</span><span class="s1">&#39;eSCN-L6-M3-Lay20All+MD&#39;</span><span class="p">,</span> <span class="n">local_cache</span><span class="o">=</span><span class="s1">&#39;/tmp/ocp_checkpoints/&#39;</span><span class="p">)</span>
 </pre></div>
diff --git a/tutorials/advanced/advanced_toc.html b/tutorials/advanced/advanced_toc.html
index d47c188b0..c19c52865 100644
--- a/tutorials/advanced/advanced_toc.html
+++ b/tutorials/advanced/advanced_toc.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
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-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -320,6 +321,7 @@
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
diff --git a/tutorials/advanced/embeddings.html b/tutorials/advanced/embeddings.html
index b7f726f14..fb1112144 100644
--- a/tutorials/advanced/embeddings.html
+++ b/tutorials/advanced/embeddings.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -320,6 +321,7 @@
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
diff --git a/tutorials/advanced/fine-tuning-in-python.html b/tutorials/advanced/fine-tuning-in-python.html
index e19323957..643547752 100644
--- a/tutorials/advanced/fine-tuning-in-python.html
+++ b/tutorials/advanced/fine-tuning-in-python.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -320,6 +321,7 @@
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
diff --git a/tutorials/advanced/fine-tuning-toc.html b/tutorials/advanced/fine-tuning-toc.html
index 7d81a8440..8db488772 100644
--- a/tutorials/advanced/fine-tuning-toc.html
+++ b/tutorials/advanced/fine-tuning-toc.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -320,6 +321,7 @@
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
diff --git a/tutorials/advanced/mass-inference.html b/tutorials/advanced/mass-inference.html
index aabc28db4..b9441c710 100644
--- a/tutorials/advanced/mass-inference.html
+++ b/tutorials/advanced/mass-inference.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -320,6 +321,7 @@
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
@@ -587,15 +589,15 @@ <h1>Mass inference<a class="headerlink" href="#mass-inference" title="Link to th
 <p>You have to choose a checkpoint to start with. The newer checkpoints may require too much memory for this environment.</p>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
-<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.common.model_registry</span> <span class="kn">import</span> <span class="n">MODEL_REGISTRY</span>
-<span class="nb">print</span><span class="p">(</span><span class="n">MODEL_REGISTRY</span><span class="o">.</span><span class="n">keys</span><span class="p">())</span>
+<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.models.model_registry</span> <span class="kn">import</span> <span class="n">available_pretrained_models</span>
+<span class="nb">print</span><span class="p">(</span><span class="n">available_pretrained_models</span><span class="p">)</span>
 </pre></div>
 </div>
 </div>
 </div>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
-<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.common.model_registry</span> <span class="kn">import</span> <span class="n">model_name_to_local_file</span>
+<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.models.model_registry</span> <span class="kn">import</span> <span class="n">model_name_to_local_file</span>
 
 <span class="n">checkpoint_path</span> <span class="o">=</span> <span class="n">model_name_to_local_file</span><span class="p">(</span><span class="s1">&#39;GemNet-dT OC22&#39;</span><span class="p">,</span> <span class="n">local_cache</span><span class="o">=</span><span class="s1">&#39;/tmp/ocp_checkpoints/&#39;</span><span class="p">)</span>
 <span class="n">checkpoint_path</span>
diff --git a/tutorials/fine-tuning/fine-tuning-oxides.html b/tutorials/fine-tuning/fine-tuning-oxides.html
index 5c10e53de..16eebeead 100644
--- a/tutorials/fine-tuning/fine-tuning-oxides.html
+++ b/tutorials/fine-tuning/fine-tuning-oxides.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
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 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -320,6 +321,7 @@
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../../autoapi/ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
@@ -579,7 +581,7 @@ <h1>Fine tuning a model<a class="headerlink" href="#fine-tuning-a-model" title="
 <p>We get this checkpoint here.</p>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
-<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.common.model_registry</span> <span class="kn">import</span> <span class="n">model_name_to_local_file</span>
+<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.models.model_registry</span> <span class="kn">import</span> <span class="n">model_name_to_local_file</span>
 
 <span class="n">checkpoint_path</span> <span class="o">=</span> <span class="n">model_name_to_local_file</span><span class="p">(</span><span class="s1">&#39;GemNet-OC OC20+OC22&#39;</span><span class="p">,</span> <span class="n">local_cache</span><span class="o">=</span><span class="s1">&#39;/tmp/ocp_checkpoints/&#39;</span><span class="p">)</span>
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diff --git a/tutorials/gotchas.html b/tutorials/gotchas.html
index 9ae4c4a78..c405d5c15 100644
--- a/tutorials/gotchas.html
+++ b/tutorials/gotchas.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -320,6 +321,7 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
diff --git a/tutorials/intro.html b/tutorials/intro.html
index 71debc3e9..e0d96765d 100644
--- a/tutorials/intro.html
+++ b/tutorials/intro.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/hpo_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.hpo_utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/logger/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.logger</span></code></a></li>
-<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/transforms/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.transforms</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/tutorial_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.tutorial_utils</span></code></a></li>
@@ -320,6 +321,7 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.utils</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/base/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.base</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/dimenet_plus_plus/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.dimenet_plus_plus</span></code></a></li>
+<li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/model_registry/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.model_registry</span></code></a></li>
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/models/schnet/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.models.schnet</span></code></a></li>
 </ul>
 </li>
@@ -550,10 +552,8 @@ <h2> Contents </h2>
             <nav aria-label="Page">
                 <ul class="visible nav section-nav flex-column">
 <li class="toc-h1 nav-item toc-entry"><a class="reference internal nav-link" href="#">Intro and background on OCP and DFT</a></li>
-<li class="toc-h1 nav-item toc-entry"><a class="reference internal nav-link" href="#abstract">Abstract</a><ul class="visible nav section-nav flex-column">
-<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#walkthrough-video">Walkthrough video</a></li>
-</ul>
-</li>
+<li class="toc-h1 nav-item toc-entry"><a class="reference internal nav-link" href="#abstract">Abstract</a></li>
+<li class="toc-h1 nav-item toc-entry"><a class="reference internal nav-link" href="#walkthrough-video">Walkthrough video</a></li>
 <li class="toc-h1 nav-item toc-entry"><a class="reference internal nav-link" href="#introduction">Introduction</a><ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#models">Models</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#datasets-tasks">Datasets / Tasks</a></li>
@@ -577,14 +577,14 @@ <h2> Contents </h2>
   <section id="intro-and-background-on-ocp-and-dft">
 <h1>Intro and background on OCP and DFT<a class="headerlink" href="#intro-and-background-on-ocp-and-dft" title="Link to this heading">#</a></h1>
 </section>
-<section class="tex2jax_ignore mathjax_ignore" id="abstract">
+<section id="abstract">
 <h1>Abstract<a class="headerlink" href="#abstract" title="Link to this heading">#</a></h1>
 <p>The most recent, state of the art machine learned potentials in atomistic simulations are based on graph models that are trained on large (1M+) datasets. These models can be downloaded and used in a wide array of applications ranging from catalysis to materials properties. These pre-trained models can be used on their own, to accelerate DFT calculation, and they can also be used as a starting point to fine-tune new models for specific tasks. In this workshop we will focus on large, graph-based, pre-trained  machine learned models from the Open Catalyst Project (OCP) to showcase how they can be used for these purposes. OCP provides several pre-trained models for a variety of tasks related to atomistic simulations. We will explain what these models are, how they differ, and details of the datasets they are trained from.  We will introduce an Atomic Simulation Environment (ase) calculator that leverages an OCP pre-trained model for typical simulation tasks including adsorbate geometry relaxation, adsorption energy calculations, and reaction energies. We will show how pre-trained models can be fine-tuned on new data sets for new tasks. We will also discuss current limitations of the models and opportunities for future research. Participants will need a laptop with internet capability.</p>
+</section>
 <section id="walkthrough-video">
-<h2>Walkthrough video<a class="headerlink" href="#walkthrough-video" title="Link to this heading">#</a></h2>
+<h1>Walkthrough video<a class="headerlink" href="#walkthrough-video" title="Link to this heading">#</a></h1>
 <iframe width="560" height="315" src="https://www.youtube.com/embed/0wb0FTa7SV0?si=6gPgj0Pv9jfNT8Go" title="YouTube video player" frameborder="0" allow="accelerometer; autoplay; clipboard-write; encrypted-media; gyroscope; picture-in-picture; web-share" referrerpolicy="strict-origin-when-cross-origin" allowfullscreen></iframe></section>
-</section>
-<section class="tex2jax_ignore mathjax_ignore" id="introduction">
+<section id="introduction">
 <h1>Introduction<a class="headerlink" href="#introduction" title="Link to this heading">#</a></h1>
 <p>Density functional theory (DFT) has been a mainstay in molecular simulation, but its high computational cost limits the number and size of simulations that are practical. Over the past two decades machine learning has increasingly been used to build surrogate models to supplement DFT. We call these models machine learned potentials (MLP) In the early days, neural networks were trained using the cartesian coordinates of atomistic systems as features with some success. These features lack important physical properties, notably they lack invariance to rotations, translations and permutations, and they are extensive features, which limit them to the specific system being investigated. About 15 years ago, a new set of features called symmetry functions were developed that were intensive, and which had these invariances. These functions enabled substantial progress in MLP, but they had a few important limitations. First, the size of the feature vector scaled quadratically with the number of elements, practically limiting the MLP to 4-5 elements. Second, composition was usually implicit in the functions, which limited the transferrability of the MLP to new systems. Finally, these functions were “hand-crafted”, with limited or no adaptability to the systems being explored, thus one needed to use judgement and experience to select them. While progess has been made in mitigating these limitations, a new approach has overtaken these methods.</p>
 <p>Today, the state of the art in machine learned potentials uses graph convolutions to generate the feature vectors. In this approach, atomistic systems are represented as graphs where each node is an atom, and the edges connect the nodes (atoms) and roughly represent interactions or bonds between atoms. Then, there are machine learnable convolution functions that operate on the graph to generate feature vectors. These operators can work on pairs, triplets and quadruplets of nodes to compute “messages” that are passed to the central node (atom) and accumulated into the feature vector. This feature generate method can be constructed with all the desired invariances, the functions are machine learnable, and adapt to the systems being studied, and it scales well to high numbers of elements (the current models handle 50+ elements). These kind of MLPs began appearing regularly in the literature around 2016.</p>
@@ -609,8 +609,8 @@ <h2>Checkpoints<a class="headerlink" href="#checkpoints" title="Link to this hea
 <p>We will focus on the ASE compatible calculator here. To facilitate using the checkpoints, there is a set of <a class="reference internal" href="#./ocp-tutorial"><span class="xref myst">utilities</span></a> for this tutorial. You can list the checkpoints that are readily available here:</p>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
-<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.common.model_registry</span> <span class="kn">import</span> <span class="n">MODEL_REGISTRY</span>
-<span class="nb">print</span><span class="p">(</span><span class="n">MODEL_REGISTRY</span><span class="o">.</span><span class="n">keys</span><span class="p">())</span>
+<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.models.model_registry</span> <span class="kn">import</span> <span class="n">available_pretrained_models</span>
+<span class="nb">print</span><span class="p">(</span><span class="n">available_pretrained_models</span><span class="p">)</span>
 </pre></div>
 </div>
 </div>
@@ -618,7 +618,7 @@ <h2>Checkpoints<a class="headerlink" href="#checkpoints" title="Link to this hea
 <p>You can get a checkpoint file with one of the keys listed above like this. The resulting string is the name of the file downloaded, and you use that when creating an OCP calculator later.</p>
 <div class="cell docutils container">
 <div class="cell_input docutils container">
-<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.common.model_registry</span> <span class="kn">import</span> <span class="n">model_name_to_local_file</span>
+<div class="highlight-python notranslate"><div class="highlight"><pre><span></span><span class="kn">from</span> <span class="nn">ocpmodels.models.model_registry</span> <span class="kn">import</span> <span class="n">model_name_to_local_file</span>
 
 <span class="n">checkpoint_path</span> <span class="o">=</span> <span class="n">model_name_to_local_file</span><span class="p">(</span><span class="s1">&#39;GemNet-OC OC20+OC22&#39;</span><span class="p">,</span> <span class="n">local_cache</span><span class="o">=</span><span class="s1">&#39;/tmp/ocp_checkpoints/&#39;</span><span class="p">)</span>
 <span class="n">checkpoint_path</span>
@@ -628,11 +628,11 @@ <h2>Checkpoints<a class="headerlink" href="#checkpoints" title="Link to this hea
 </div>
 </section>
 </section>
-<section class="tex2jax_ignore mathjax_ignore" id="goals-for-this-tutorial">
+<section id="goals-for-this-tutorial">
 <h1>Goals for this tutorial<a class="headerlink" href="#goals-for-this-tutorial" title="Link to this heading">#</a></h1>
 <p>This tutorial will start by using OCP in a Jupyter notebook to setup some simple calculations that use OCP to compute energy and forces, for structure optimization, and then an example of fine-tuning a model with new data.</p>
 </section>
-<section class="tex2jax_ignore mathjax_ignore" id="about-the-compute-environment">
+<section id="about-the-compute-environment">
 <h1>About the compute environment<a class="headerlink" href="#about-the-compute-environment" title="Link to this heading">#</a></h1>
 <p><a class="reference internal" href="#./ocp_tutorial_helper.py"><span class="xref myst">ocp-tutorial.ipynb</span></a> provides <code class="docutils literal notranslate"><span class="pre">describe_ocp</span></code> to output information that might be helpful in debugging.</p>
 <div class="cell docutils container">
@@ -711,10 +711,8 @@ <h1>About the compute environment<a class="headerlink" href="#about-the-compute-
   <nav class="bd-toc-nav page-toc">
     <ul class="visible nav section-nav flex-column">
 <li class="toc-h1 nav-item toc-entry"><a class="reference internal nav-link" href="#">Intro and background on OCP and DFT</a></li>
-<li class="toc-h1 nav-item toc-entry"><a class="reference internal nav-link" href="#abstract">Abstract</a><ul class="visible nav section-nav flex-column">
-<li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#walkthrough-video">Walkthrough video</a></li>
-</ul>
-</li>
+<li class="toc-h1 nav-item toc-entry"><a class="reference internal nav-link" href="#abstract">Abstract</a></li>
+<li class="toc-h1 nav-item toc-entry"><a class="reference internal nav-link" href="#walkthrough-video">Walkthrough video</a></li>
 <li class="toc-h1 nav-item toc-entry"><a class="reference internal nav-link" href="#introduction">Introduction</a><ul class="visible nav section-nav flex-column">
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#models">Models</a></li>
 <li class="toc-h2 nav-item toc-entry"><a class="reference internal nav-link" href="#datasets-tasks">Datasets / Tasks</a></li>
diff --git a/videos/intro_series.html b/videos/intro_series.html
index 697906ffc..ba801647f 100644
--- a/videos/intro_series.html
+++ b/videos/intro_series.html
@@ -177,9 +177,10 @@
                 </a>
             </li>
         </ul>
-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained 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">Released Datasets &amp; Models</span></p>
@@ -210,6 +211,7 @@
 
 
 
+
 <li class="toctree-l1"><a class="reference internal" href="../tutorials/OCP-introduction.html">Simple simulations using the OCP ASE calculator</a></li>
 
 
@@ -291,7 +293,6 @@
 <li class="toctree-l4"><a class="reference internal" href="../autoapi/ocpmodels/common/gp_utils/index.html"><code class="xref py py-mod docutils literal notranslate"><span class="pre">ocpmodels.common.gp_utils</span></code></a></li>
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diff --git a/videos/technical_talks.html b/videos/technical_talks.html
index 1b870466c..7191869f6 100644
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@@ -177,9 +177,10 @@
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-        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Installation &amp; License</span></p>
+        <p aria-level="2" class="caption" role="heading"><span class="caption-text">Quickstart &amp; Installation</span></p>
 <ul class="nav bd-sidenav">
 <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/QUICKSTART.html">Quickstart simulation using pre-trained models</a></li>
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@@ -210,6 +211,7 @@
 
 
 
+
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