stpy.utils.concat_fingerprints_df

stpy.utils.concat_fingerprints_df(df, smiles_col='smiles', fps=('morgan', 'rdkit'), radius=3, fpSize=2048, dtype='uint8', logger=None)

Compute concatenated fingerprints for all SMILES in a DataFrame.

Returns:

Shape: (n_samples, total_fp_length)

Return type:

np.ndarray