diff --git a/docs/src/atomistic/index.rst b/docs/src/atomistic/index.rst index 438c747e6..caa1dab0f 100644 --- a/docs/src/atomistic/index.rst +++ b/docs/src/atomistic/index.rst @@ -46,22 +46,24 @@ models, look into the (work in progress!) metatrain_ project instead. Learn how to define your own models using metatensor, and how to use these models to run simulation in various simulation engines. - .. grid-item-card:: TODO: ENGINES - :link: atomistic-models-engines + .. grid-item-card:: 📋 Standard models outputs + :link: atomistic-models-outputs :link-type: ref :columns: 12 12 6 6 :margin: 0 3 0 0 - TODO + Understand the different outputs a model can have, and what the metadata + should be for standardized outputs, such as the potential energy. - .. grid-item-card:: 📋 Standard models outputs - :link: atomistic-models-outputs + .. grid-item-card:: ⚙️ Simulation engines + :link: atomistic-models-engines :link-type: ref :columns: 12 12 6 6 :margin: 0 3 0 0 - Understand the metadata convention for specific models outputs, such as - the potential energy. + Explore the various simulation softwares that can use metatensor models, + and what each one of them can do, from running molecular dynamics + simulations to interactive dataset exploration. .. grid-item-card:: |Python-16x16| Python API reference :link: python-api-atomistic-models