bindingrmsd.data.data

Functions

load_ligands(file_path[, only_cluster_leads])	Loads ligands from a file or a list of files.
process_ligand_file(file_path[, ...])	Processes a single ligand file (.dlg, .pdbqt, .sdf, .mol2).

Classes

PoseSelectionDataset(protein_pdb, ligand_file)