diffalign.utils.datasets
========================

.. automodule:: diffalign.utils.datasets

   
   .. rubric:: Functions

   .. autosummary::
   
      accumulate_grad_from_subgraph
      get_test_set_with_large_num_conf
      pdb_to_data
      prepare_pdb2
      prepare_pdb_valtest
      prepare_pdblarge
      preprocess_GEOM_dataset
      preprocess_GEOM_dataset_with_fixed_num_conf
      preprocess_iso17_dataset
      rdmol_cluster_to_data
      rdmol_to_data
   
   .. rubric:: Classes

   .. autosummary::
   
      ConformationDataset
      MolClusterData
      PackedConformationDataset
      SidechainConformationDataset