drugforge.data.backend.openeye.smiles_to_oemol

drugforge.data.backend.openeye.smiles_to_oemol(smiles: str) → openeye.oechem.OEMol[source]

Loads a smiles string into an openeye molecule

Parameters:

smiles (str) – SMILES string

Returns:

resulting OpenEye OEGraphMol

Return type:

oechem.OEGraphMol