AtomicAI Documentation
======================

**AtomicAI** is a Python package for building machine learning models in computational
materials science. It supports ML force field generation, atomic descriptor computation,
structure analysis, file format conversion, and dimensionality reduction.

.. toctree::
   :maxdepth: 2
   :caption: Getting Started

   installation
   quickstart

.. toctree::
   :maxdepth: 2
   :caption: User Guide

   usage/file_conversion
   usage/structure_tools
   usage/descriptors
   usage/force_descriptors
   usage/mlff
   usage/dim_reduction
   usage/analysis
   usage/visualization

.. toctree::
   :maxdepth: 2
   :caption: API Reference

   api/descriptors
   api/tools
   api/mlff
   api/dim_reduction

.. toctree::
   :maxdepth: 1
   :caption: About

   changelog
   citing

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

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