Documentation ============= .. rubric:: Collective variables The ``cvs`` module contains ready-to-use CV classes, grouped by the type of data used for their optimization in the following sub-packages: unsupervised, supervided and time-lagged. .. toctree:: :maxdepth: 1 :caption: API: api_cvs .. rubric:: Core modules This module contains the building blocks that are used for the construction of the CV classes. We organized them into the following submodules: ``nn``, ``loss``, ``stats`` and ``transform``. .. toctree:: :maxdepth: 1 :caption: API: api_core .. rubric:: Datasets Here we provide PyTorch- and Lightning-compatible classes that simplify and improve the efficiency of data access. .. toctree:: :maxdepth: 1 :caption: API: api_data .. rubric:: Utils Miscellaneous tools and helper functions: .. toctree:: :maxdepth: 1 :caption: API: api_utils Tools for inspecting & interpreting the models. .. toctree:: :maxdepth: 1 :caption: API: api_explain