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General updates

  • MT –

  • JW –

    • I’ll be offline next Fri (oct 11) and the following weds (oct 16)

    • Bespokefit+fragmenter issue seem to stem in latest RDKit release (2024.03.6), possibly only with new versions of mamba/micromamba(?).

      • Can fix CI by pinning to 2024.03.5

      • Probably need to propagate to bespokefit/fragmenter conda package pins as well

      • Working on a reproducing example that I can pass up to RDKit issue tracker

    • We’re finalizing performance review process, I’ll schedule a review with you in the next few weeks.



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