I don't know enough about the GETAWAY descriptor to know if this is to be
expected.
>>>m = Chem.MolFromSmiles('CC=O')
>>>m2=Chem.AddHs(m)
>>>AllChem.EmbedMolecule(m2,randomSeed = 1234)
>>>(Chem.rdMolDescriptors.CalcGETAWAY(m2))[85:90]
[0.207, 0.008, 0.027, nan, 0.0]
Is this a bug? If not, is it reasonable to set these to 0.0?
Thanks
Jason
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