2024-06-17 Westbrook/Wagner Check-in meeting notes

• JW – LW had mentioned you might be able to help with infra for up to 5 hours per well. Did she talk to you about this?

  • BW – Yes

• JW – I’d love to angle toward you eventually “owning” QCSubmit, but kinda working our way there.

• JW – For immediate to-dos, 3 things come to mind:

  • I could use a review (and advice on how to test) https://github.com/openforcefield/openff-qcsubmit/pull/282

  • I’m always open to QCSubmit performance improvements.

  • We have a ForceBalance PR that has Matt questioning reality, and if you want to start with something awful you can take that.

• JW – Longer term, it could be neat to see if we can pare down QCSubmit a ton to reduce the duplication/need for parallel data structures

  • BW – Yeah, we’d talked about that at the recent benchmarking meeting. Seems like it could be helpful.

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Make sure BW has access to Trello - https://trello.com/b/dzvFZnv4/infrastructure

When BW has either one ready for review, he’ll move it to the “ready for review” column and add Jeff to the card