#chemfp, the package I develop for #cheminformatics fingerprints, supports the #RDKit, #OpenBabel, #OEChem, and #CDK toolkits.
By far the easiest one to test is CDK. It's distributed as a standalone Java jar file, which I access from #Python via the #JPype bridge.
From the same environment I can test 12 different CDK versions by simply changing the CLASSPATH.
For everything else I need to set up something like nox, and configure the environment.
And OEChem is not on PyPI.
#openbabel
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