def readAndCreateFingerprint(file_name, counts=False):
if not counts:
fingerprints = [
AllChem.GetMorganFingerprintAsBitVect(m, 2, 1024)
for m in Chem.ForwardSDMolSupplier(file_name, removeHs=False)
if m is not None
]
return fingerprints
else:
info = {}
fingerprints = [
AllChem.GetMorganFingerprint(m, 2, bitInfo=info)
for m in Chem.ForwardSDMOLSupplier(file_name, removeHs=False)
if m is not None
]
return fingerprints
