API Documentation ================= This page provides links to the main API modules. For detailed function documentation, see the individual module pages. Top-level Package ----------------- .. toctree:: :maxdepth: 1 api/mmml PhysNet Models -------------- .. toctree:: :maxdepth: 2 api/physnet_models Data Loaders ------------ .. toctree:: :maxdepth: 2 api/data_loaders DCMNet (Distributed Charge Multipole Network) --------------------------------------------- .. toctree:: :maxdepth: 2 api/dcmnet PySCF GPU Interface ------------------- .. toctree:: :maxdepth: 2 api/pyscf4gpu Other Interfaces ---------------- .. toctree:: :maxdepth: 2 api/other .. note:: Some modules require optional dependencies (e.g., CUDA, e3x, gpu4pyscf) and may not be available in all environments.