drugforge.alchemy.alchemize.partial_sanitize

drugforge.alchemy.alchemize.partial_sanitize(mol: rdkit.Chem.rdchem.Mol) → rdkit.Chem.rdchem.Mol

Does the minimal number of steps for a molecule object to be workable by rdkit; won’t throw errors if the mol is funky.

Args:

mol (Mol): RDKit molecule object

Returns:

Mol: Sanitized RDKit molecule object