.. 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`