stpy.utils.get_fingerprint

stpy.utils.get_fingerprint(smiles, fp='morgan', radius=3, fpSize=2048, output='numpy', dtype='uint8', logger=None)

Memory‑optimized molecular fingerprint generator.

Parameters:

• smiles (str) – Input SMILES string.

• fp (str) – Fingerprint type.

• output (str) – ‘numpy’ (recommended) or ‘vect’.

• dtype (str) – Data type for NumPy output: ‘bool’, ‘uint8’, or ‘int8’.

Return type:

np.ndarray or ExplicitBitVect or None