2024-10-21 Westbrook/Wagner Check-in meeting notes

Participants

Item

Notes

General updates

BW –
- https://github.com/openforcefield/openff-bespokefit/issues/369
  - Came up with next steps, documented in PR
- https://github.com/openforcefield/openff-qcsubmit/pull/300 - Could I fix some typos I saw in the releasenotes before I merge?
  - JW – Yes, go for it!
- https://github.com/openforcefield/openff-qcsubmit/pull/303
  - JW – Thanks, I’ll review this. It’s a bit complex, I’ll need to remember some of the context around this and take a close look at how these tests are structured.
JW –
- Are vCPU limits on AWS causing issues?
  - BW – Runs take 5-ish hours.
  - JW – Ok, thanks for that update. I’ll keep this as medium/low priority.
  - BW – Ok. Let me know if I can help with updating forcebalance.

Trello