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

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