.. mlcg documentation master file, created by
   sphinx-quickstart on Fri Oct  1 20:43:40 2021.
   You can adapt this file completely to your liking, but it should at least
   contain the root `toctree` directive.

Welcome to mlcg's documentation!
======================================

This is the base code to create models such as the ones described in [TransCGSchnet]_ and [CGSchnet]_.

.. include:: ../../README.rst
   :start-after: start-intro
   :end-before: end-intro



.. role:: python(code)
   :language: python


Contents
--------

.. toctree::
   :maxdepth: 2

   data
   geometry
   neighbor_list
   coarse_graining
   datasets
   priors
   models
   training
   simulation
   dev/dev
   bibliography



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

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