Hi Antoine,
|rdkit.Chem.Pharm2D.Generate.||Gen2DFingerprint()| expects a single molecule
https://www.rdkit.org/docs/source/rdkit.Chem.Pharm2D.Generate.html?highlight=gen2dfingerprint#rdkit.Chem.Pharm2D.Generate.Gen2DFingerprint
while you are passing a list of molecules:
pharmacophorefps = Gene
Hello,
I am trying to generate a set of pharmacophore fingerprints in python using
RDKIT from a list of SMILES (20k molecules)
No matter what I do the script keeps throwing an error saying my code doesn't
match the C++ signature.
Here is a copy of my code as it stands right now
from __future__
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