from darwin_molecules.database.db_interface import DBMolInterface
db_mol_session = DBMolInterface(host='192.168.2.112', db_name='db_gentlemen2', username='gentleman', password='pudge23',
                                port=28473)
db_mol_session.datasets_gen_train.add_from_csv("test/data/bbb_for_unittests.csv",
                                          dataset_name='bbb',
                                          ds_type='TRAIN',
                                          target_cols=['activity'],
                                          smiles_col='smiles',
                                         id_external_col="ID")