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ArgumentError: Python argument types in rdkit.Chem.rdMolDescriptors.CalcCrippenDescriptors(NoneType) did not match C++ signature: #87
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I think I solved it with:
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I tried your method, but I did not solve my problem |
I gonna leave it here as this one is shown first in google I had quite similar issue trying to reproduce following example with RDkit: https://iwatobipen.wordpress.com/2019/11/07/calculate-free-solvent-accessible-surface-area-rdkit-chemoinformatics/ I was running into the following error: Eventually I made it work by creating a new conda environment: Then installed rdkit to it: In order to create a kernell to switch in jupyter (view https://stackoverflow.com/questions/58882055/python-doesnt-see-packages-with-jupyter-notebook): Then you will be able to choose this kernell in jupyter. Running the code lines on new kernell with just rdkit installed solved my issue |
Please install the rdkit from the conda-forge channel instead of the RDKit channel. |
the rdkit is less useful than OpenBabel, they need to fix this problem |
I installed rdkit using conda as mentioned on #84.
Then, when I try to use
MolLogP
:rdkit always fail with:
The C++ version used I suppose is the one shipped by anaconda:
The complete list:
What is the right version of C++/Boost to be installed? I would appreaciate any help.
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