swamidass

Thanks for the quick reply. Sounds like this is handled correctly. My only complaint is that it is not documented clearly here or in the paper. Perhaps this could be...

Just got this error too. Please add the matlab version to the pip package as a requirement?

I have the same error.

In the same directory, there are two additional files that likely need to be removed: SubstructureFilter_HitTriaging_wPubChemExamples.csv filterExamples.png examples/chembl24_structs_randomtestSample_100.csv examples/chembl24_structs_randomtestSample_100_out.csv These are far smaller files, but none of them are mentioned...

I don't think those files are in the repo, are they? Do they appear in a clean clone of the project? Perhaps run "git stash" before building the packages? This...

The other way to do this is by setting up continuous integration to automatically build the wheel on a remote server. I recently did this with circleci (https://circleci.com/) on another...

One final pieces of information. Here are the largest directories in the rdkit pypi distribution: 55M Contrib **41M Contrib/NIBRSubstructureFilters** 26M Chem **5.2M Contrib/CalcLigRMSD** **3.7M Contrib/SA_Score** **3.1M Contrib/CalcLigRMSD/figures** 2.4M Data 2.0M...

I see this was fixed in the latest pypi release. Thanks!

That worked. Perhaps push a release to pypi?

Same problem here. Still broken on deploy,but works fine in dev now. The max version of node on vercel is 16.6. Perhaps now is a time to enable node 18?