drugforge.data.backend.openeye.get_SD_data

drugforge.data.backend.openeye.get_SD_data(mol: openeye.oechem.OEMolBase) → dict[str, list]

Get all SD data on an OpenEye OEMol, OEGraphMol, or OEConfBase object. If multiple conformers are found, the SD tags from the conformers will be used, and any properties at the highest level will be ignored.

Parameters:

mol (oechem.OEMol) – OpenEye OEMol

Returns:

Dictionary of SD data

Return type:

dict[str, list]

Raises:

TypeError – If mol is a type that cant be converted to an OEMol, OEGraphMol, or OEConfBase