.. IANN documentation master file, created by
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Welcome to IANN's documentation!
================================

IANN (InterAtomic Neural Network Framework) is a equivariant interatomic neural network potential framework package for materials science and computational chemistry. It implements state-of-the-art graph neural network models for periodic and non-periodic systems, including FastPot, PaiNN, Nequip, MACE, and EquiformerV2, focusing on predicting energies and forces with high accuracy. 


The code is available and actively maintained on `GitHub <https://github.com/changzhiai/IANN>`_. Users are encouraged to explore the repository for asking questions, or reporting issues.

.. toctree::
   :maxdepth: 2
   :caption: Contents:

   installation
   quickstart
   training
   prediction
   parallelization
   lammps
   engine_models
   foundation_models
   api
   troubleshooting

Indices and tables
==================

* :ref:`genindex`
* :ref:`modindex`
* :ref:`search`