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Notes

General updates

  • JM

    • I may need to take time off this week to sign contracts and stuff.

      • JW – Sounds good, if it balloons into a whole day or something then mark it as PTO, otherwise feel free to just make up the hours.

    • Ran PDBFixer on NRP on 11k pdbs, 300 failed. Probably have a bug report or two to file for PDBFixer (seeming like something where PDBs have a blank column). Not sure where to sotre data - I’d prefer not to keep it on my personal computer.

      • JW – Good to put the data on either Zenodo (preferred in the long run) or google drive (you should have a big one attached to your openff or omsf email)

  • JW

    • LW is looking at ways to accelerate protein FF work. I told her to feel free to reach out to you if there’s stuff you can help with. Work assigned by LW should be considered high priority. Other larger tasks in the next few months will be besmarts docs and workshops, and I’ll help prioritize/scope those if they come into conflict.

      • JM – I’d also be happy to learn science stuff if that helps.

      • JW – Great. This is still in early stages but it’s good to know you’re interested. Very uncertain how this will go - may not come to anything, or may become a majority of your workload.

    • Reminder that we’ll do supervisor review/career growth meeting at our meeting in two days - Please read over template ahead of time and think about how you’d fill it in.

Trello

https://trello.com/b/dzvFZnv4/infrastructure

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