.. _pytorch: https://pytorch.org/

Molecular Crystal Tools
========================

What is ``MXtalTools``?
-----------------------

``MXtalTools`` is a Python library based on pytorch_ for machine learning tasks on molecules and molecular crystals.

The library provides standalone functions for analyzing molecules and crystals, scripts for building molecule and crystal datasets, pre-trained models for crystal property prediction, and workflows for model training.

For installation instructions, go :ref:`here <installation>`.


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

    source/about
    source/installation
    source/examples

    source/crystal_building
    source/dataset_creation
    source/model_training
    source/modules


Indices and tables
==================
* :ref:`genindex`