2024-08-12 Mitchell/Wagner Check-in meeting notes

General updates

• JW –

  • I’ll be offline next Monday.

  • We’ll probably pair you up with Trevor Gokey to help draft BeSMARTS documentation before he graduates. Likely timing is in a month or two

    • JM – So it splits a collection of molecule into a hierarchical list of smarts of the desired length?

    • JW – Yes, pretty much. More info here https://besmarts.readthedocs.io/en/latest/index.html

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  • I’m putting together a bus-factor analysis for OpenFF infra. We’re hoping to get better coverage of critical areas. Do these rows make sense?

    • JM – Would be good to add advanced sphinx/openff-sphinx-theme

  • Got rudimentary AWS runners going, in case you need GPUs for CI

• JM –

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Trello

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