Hi everyone,
I have noticed some inconsistencies with the list of rdkit chemical
descriptor available between my Windows machine and my Linux machine.
I am running the same rdkit version on both platforms (2021.03.1) on the
same 3.9 python version.
running the following from windows:
print(len(Descriptors._descList))
for each_descriptor in Descriptors._descList:
print(each_descriptor[0])
==> 123
and no fragment descriptors ("fr_xxx")
running the same from linux:
==> 208
(same descriptors as on Windows + all the descriptors from the
Chem.Fragments module)
Could the fragment descriptors available on Linux be added to the list of
available fragments on Windows so that the ML models stay cross platform
compatible?
Many thanks and regards,
Alexis
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