How to install a package rdkit from Conda with pip?

pip package conda rdkit
Rebecca picture Rebecca · Oct 2, 2019 · Viewed 8.3k times · Source

I am trying to install rdkit using pip3. But it doesn't work. 

sudo pip3 install rdkit
Error:  Could not find a version that satisfies the requirement rdkit (from versions: )
No matching distribution found for rdkit

There is only apparently one option with conda

conda install -c rdkit rdkit

How can I install it with pip? Thanks

Answer

Oliver Scott picture Oliver Scott · Oct 3, 2019

You cannot install rdkit with pip at the moment, either build from source or install using anaconda as recommended. Making rdkit installable with pip is tricky, see github issue

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