I'm going to guess that it's this problem: https://github.com/
rdkit/rdkit/issues/1617
and that the solution is to downgrade conda to v4.3.25 (conda install
conda=4.3.25).
This problem has proven much more frustrating to fix for the mac (linux and
windows are now fine) than expected, but Brian
Hi RDKit users,
Is it possible to pick a subset of (diverse) compounds that have less than
a particular Tanimoto coefficient (for eg. 0.7) from a larger set using
RDKit.
The current version of the Diverse Picker picks a diverse set based on a
"number of compounds" instead of Tanimoto score.
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