promptbind.utils.feature_utils

Functions

Seed_everything([seed])
binarize(x)
extract_torchdrug_feature_from_mol(mol[, ...])
extract_torchdrug_feature_from_mol_E3Bind(mol)
generate_and_write_sdf_from_smiles_using_rdkit_E3Bind(smiles)
generate_conformation(mol)
generate_rdkit_conformation_v2(smiles[, ...])
generate_sdf_from_smiles_using_rdkit(smiles, ...)
generate_sdf_from_smiles_using_rdkit_E3Bind(smiles)
get_LAS_distance_constraint_mask(mol)
get_canonical_smiles(smiles)
get_clean_res_list(res_list[, verbose, ...])
get_compound_pair_dis_distribution(coords[, ...])
get_protein_feature(res_list)
get_res_unique_id(residue)
n_hops_adj(adj, n_hops)
read_mol(sdf_fileName, mol2_fileName[, verbose])
remove_hetero_and_extract_ligand(res_list[, ...])
save_cleaned_protein(c, proteinFile)
select_chain_within_cutoff_to_ligand_v2(x)
split_protein_and_ligand(c, pdb, ...)
write_renumbered_sdf(toFile, sdf_fileName, ...)
write_with_new_coords(mol, new_coords, toFile)