promptbind.utils.utils.construct_data_from_graph_gvp_mean¶
- promptbind.utils.utils.construct_data_from_graph_gvp_mean(args, protein_node_xyz, protein_seq, coords, compound_node_features, input_atom_edge_list, input_atom_edge_attr_list, LAS_edge_index, rdkit_coords, compound_coords_init_mode='pocket_center_rdkit', includeDisMap=True, pdb_id=None, group='train', seed=42, data_path=None, contactCutoff=8.0, pocket_radius=20, interactionThresholdDistance=10, compoundMode=1, add_noise_to_com=None, use_whole_protein=False, use_compound_com_as_pocket=True, chosen_pocket_com=None, random_rotation=False, pocket_idx_no_noise=True, protein_esm2_feat=None)[source]¶