fuellib.rdk.mol.from_smiles

fuellib.rdk.mol.from_smiles(smiles)

Instantiate an RDKit Mol object from a SMILES string.

Parameters:

smiles (str) – SMILES string representing the molecule.

Returns:

RDKit Mol object instantiated from the SMILES string.

Raises:

ValueError – If the SMILES string is invalid.

Return type:

Mol