Convert fingerprint to numpy array and convert numpy array to fingerprint #RDKit #memorandum

This is just memorandum for my self.RDKit has ConvertToNumpyArray method for converting rdkit fp to numpy array. But there is not direct method for convert numpy array to rdkit fp.However, rdkit has CreateFromBitString method. So, I tried to convert numpy array to rdkit fp with the method. Then convert fp to numpy array. Next convertContinue reading “Convert fingerprint to numpy array and convert numpy array to fingerprint #RDKit #memorandum”