2023-07-12 All-hands meeting notes

Owned by David Mobley, created
Jul 12, 2023
2 min read

Participants

  • (failed to get log of participants)

  • (Shirts and Wagner out of town)

Goals

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Discussion topics

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Presenter

Notes

Item

Presenter

Notes

Welcome Brent/Lexie

DLM

 

Tools we should publish in JOSS?

DLM

Discussion of tools to publish: Toolkit, but maybe also Interchange (?). Toolkit: Maybe it’s just “metastable” though not 1.0, but maybe also publishable. MT is enthusiastic about publishing toolkit; Interchange is still “younger” and maybe not as stable as toolkit.

Key consideration: Avoid pulling devs away from doing stuff to write stuff, but this may be possible to avoid with JOSS?

See other papers and note review criteria link: https://joss.theoj.org/papers/10.21105/joss.02367

Probably PIs can write.

 

Brainstorming on measuring OpenFF impact

DLM

JDC took notes on this into the Google Doc relating to the NIH renewal.

Measuring usage

Discussion - led by DLM

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    • MT: Do any of the other big projects do this? Chodera: SireMol has done this. OpenMM perennially struggling for grant funding because doesn't have way to measure impact. That may or may not be the reason it struggles with funding.

    • Chodera: Shouldn't be a reason it isn't a best practice to use a well-trodden library for this like Prometheus (?? and might be dated, maybe others now); can report on what features people aren't using, etc. (Your web browser sends back lots of info, as does almost everything on your machine, unless you opt out.) There is a way to do it well to be transparent about what data we collect, and then provide ways to opt out of it (or maybe GDPR requires opt-in).

    • Eastwood: Many package repos will tell you when you are downloading something that is going to phone home and tells you that this is not best practices/asks you whether you are sure (eg Ubuntu package repo or similar). Some corners of FOSS put blackmarks on software package if you do that. That's not our corner but still. Also he's not convicned we have security expertise on our team to guarantee we're doing it correctly. Might mean hiring someone else just to focus on security.

    • Chodera agrees with these objections.

Citations

Eastwood

  • Discussion of citations - James Eastwood mentions Rosetta's work in this area. Jeff will look into it.

  • People forget what they should cite; very good idea.

  • Could risk getting annoying, but have flag where you can turn it off.

Action items

Decisions