2023-04-12 Thompson/Wagner Check-in meeting notes

General updates

• JW – Retreat ideas?

  • MT – A running outing or two

• JW – Roadmap planning — Early stages, pre-gov board, prioritizing benchmarking first, PL sim setup second, everything else behind that.

  • MT – If this does successfully trickle into actual sprint definition, I want to make clear that I don’t want to work on Espaloma (though ML FF tools in general are still interesting)

  • MT – Also want to reiterate that the benchmarking project is defined as being for LW’s use, not external.

    • JW – “Generalized benchmarking” on this roadmap could add stages to the project past “LW’s immediate needs” - We might support people adding condensed phase benchmarks etc.

    • MT – Happy to provide plugin interface for this but don’t want to be short order cooks for every analysis that people suggest

• JW – Talk coordination - I’m going to try to have you, me, and Mitchell give one single joint talk. Will there be a time when us three can chat?

  • JW – Aiming to impart an understanding of what our ecosystem can do into the audience’s mind, to set up the context for the next talks.

  • MT – I think we had trouble with this last Fall - We didn’t have that much to show and it was kinda just “bespoke fitting and making an interchange with the new parameters” - Since we won’t have a protein force field at that time I’m not sure which impressive workflows we’d wow people with. Not sure what alternative would be better… But if this talk exposes how little we can do, then it may look worse than 3 disjointed talks.

  • JW – Any overlap with JM? Would need to be ~6PM your time.

    • MT – Mondays could work.

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Trello update

(done)

Issue/PR clearance

(will do async)