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Searched refs:molecule_name_column (Results 1 – 2 of 2) sorted by relevance

/dports/science/py-oddt/oddt-0.7/oddt/
H A Dpandas.py16 molecule_name_column='mol_name', argument
90 if molecule_name_column:
91 mol_data[molecule_name_column] = mol.title
184 molecule_name_column='mol_name', argument
231 molecule_name_column=molecule_name_column,
245 molecule_name_column='mol_name', argument
293 molecule_name_column=molecule_name_column,
/dports/science/py-oddt/oddt-0.7/tests/
H A Dtest_pandas.py48 molecule_name_column=None,