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Notes

General updates

  • JW will be offline Friday

  • MT is working half days East coast time.

Individual updates

  • JW –

    • Debugged OE chemical environment matches test failure

    • Really strange OE hierarchy metadata assignment when things are undefined - Defaulting all undefined atoms to " ", 1, "UNL". Roundtrippability is now not guaranteed in to/from OE+RDKit, since hierarchy metadata will be added if it wasn’t there before.

    • Bespokefit working session with Swope and Horton

    • Bit of org stuff, getting ready for sci lead transition

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