.. MLIP documentation master file: You can adapt this file completely to your liking, but it should at least contain the root `toctree` directive. Welcome to the documentation of DIPM! ===================================== *dipm* is a enhancement of `MLIP `_ standing for **Deep Interatomic Potentials Models (DIPM)**. It contains the following features: * Multiple model architectures (for now: MACE, NequIP and ViSNet) * Dataset preprocessing * Training of MLIP models * Batched inference with trained MLIP models * MD simulations with MLIP models using multiple simulation backends * Energy minimizations with MLIP models using multiple simulation backends * Batched MD simulations and energy minimizations with the JAX-MD simulation backend * Fine-tuning of pre-trained MLIP models As a first step, we recommend that you check out our page on :ref:`installation` and our :ref:`user_guide` which contains several tutorials on how to use the library. Furthermore, we also provide an :ref:`api_reference`. .. note:: This project is under active development. .. toctree:: :maxdepth: 2 :caption: Contents: Installation User guide API reference