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poli.core.util.chemistry.string_to_molecule.strings_to_molecules

poli.core.util.chemistry.string_to_molecule.strings_to_molecules#

poli.core.util.chemistry.string_to_molecule.strings_to_molecules(molecule_strings: List[str], from_selfies: bool = False)#

Convert a string representation of a molecule to an RDKit molecule.

Parameters

  • molecule_string (str) – A string representation of a molecule.

  • from_selfies (bool, optional) – If True, the molecule string is assumed to be a selfies string. Otherwise, the molecule string is assumed to be a SMILES string.

Returns

An RDKit molecule.

Return type

Chem.Mol