Knime python and conda/rdkit issues
Hi,
I have tried to replicate the KNIME +RDKIT + python workflow to get some QED values generated only to end up down a rabbit hole as I tried to install RDKIT in a conda environment first:
Install (conda, RKIT, QED) looked ok then tried the script in the KNime python node but the RDKIT chem function was not recognised.
So back I went into Jupyter and tried there (correct env also selected) and got the same issue.
As a last resort I also tried running the python line in the conda env, getting the same issue pointing in the direction of RDKIT missing some dependencies…
So far I have tried several fixes that litter the web to no avail (conda-forge, checking with ‘pip check’ for missing dependencies etc.)
Bottom line: is there an up-to-date, clean and easy way to install RDKIT in a conda env in Windows11?
Happy to install older versions of conda/knime/python to get it work…
Thanks