rdkit installation issues with Anaconda

Crath picture Crath · May 15, 2016 · Viewed 6.9k times · Source

I am trying to get rdkit working on my Windows 7 system with Anaconda and Python 2.7. I have been following the instructions from http://www.rdkit.org/docs/Install.html

conda create -c https://conda.anaconda.org/rdkit -n my-rdkit-env rdkit
activate my-rdkit-env

I then get the following:

Deactivating environment "C:\Anaconda2"...

Activating environment "C:\Anaconda2\envs\my-rdkit-env"

However, if I then open a Jupyter notebook, and try to

import rdkit

It fails with

ImportError: No module named rdkit

Any help would be greatly appreciated!

Answer

banan3'14 picture banan3'14 · Nov 15, 2018

I had the same problem, but

conda install -c conda-forge rdkit

worked out with ease.