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General updates

  • JM

  • JW

    • Last week had major-ish interchange 0.4 release. Also minor openff-units release that accidentally broke a lot of stuff due to interaction with lazy loading in OFFTK. Also minor OFFTK, QCSubmit, and BespokeFit releases last week.

    • It’s likely you’ll get tapped in to help with protein FF work, likely figuring out how to run sims on NRP and get results back. LW will be contact point.

    • You may also get tapped in on BeSMARTS docs work, will depend on some details on TGokey’s timing

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