.. _chemical_systems_readers: .. module:: mlip.data.chemical_systems_readers Chemical System Readers ======================= This module contains chemical systems readers. The purpose of the readers is to load a dataset into three lists containing :py:class:`ChemicalSystem ` objects, the first list being for the training set, the second for the validation set, and the third one for the test set. .. toctree:: :maxdepth: 1 chemical_systems_reader extxyz_reader hdf5_reader combined_reader reader_utils