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Notes

General updates

  • JW – Working just Monday this week, first half of next week.

Individual updates

  • JW –

    • Getting great feedback from Meghan Osato (Mobley lab) on biopolymer infrastructure and interchange

    • Fixed OE stereochem bug and error with default partial_bondorder_model (OFFTK #1150-1153)

    • Interviewed project manager candidates - Hire will hopefully come online in Jan/early 2022.

    • Worked on a slightly different way to do Topology.to_smiles, not sure if we also will need Topology.from_mapped_smiles

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