Is there any package we can get Morgan Finger print same as rdkit’s
AllChem.GetMorganFingerprintAsBitVect(mol, radius=3, nBits=fp_length)
Thank you!
Is there any package we can get Morgan Finger print same as rdkit’s
AllChem.GetMorganFingerprintAsBitVect(mol, radius=3, nBits=fp_length)
Thank you!
Have you looked at RDKitMinimalLib.jl - a wrapper for running rdkit from Julia?
https://eloyfelix.github.io/RDKitMinimalLib.jl/dev/calculators/