2022-04-13 Mitchell/Wagner Check-in meeting notes

General updates

• JW – Great work with interchange stuff. I’m continuously impressed when I look at the issue tracker/pulls

• JW – Maybe handy for fancy diagrams: My initial attempt to understand object conversion - https://docs.google.com/presentation/d/1AX8VGIxyG0CPYPndN92Mmn2Byq6QRUaNsLfn-8THpCQ/edit#slide=id.g5a81e855e2_0_33 , may be useful to see the whole landscape of what turns into what

• Bespokefit user support - We should start patrolling the bespokefit issue tracker and tackling simple user questions. We’ll take on more responsibility later. Full schedule here: 2022-04-12 Meeting notes

• Trello update

• JM – AMBER issue - Maybe I’m not seeing something?

  • (Worked together, didn’t resolve it, posted )

• Topology user experience discussion

To dos

1. (high) QCSubmit users guide (in progress)

2. (high) Bespokefit theory docs

3. (high) Interchange pre-release prep

4. (medium) Toolkit docs cleanup

5. (medium) Toolkit revised user guide (+-unifying/centralizing package user guides)

6. (medium) Come up with “milestones” for making first of three videos this year (like, “first video on covid spike protein and small molecule, filmed this day, edited in that range, etc…”)

7. (medium) bibtex blocks for website “how to cite” page on http://openforcefield.org

8. (low) Propose policy for using GH citation machinery

9. (low) Check main website for broken links

10. (low) migrate docs to be under http://openforcefield.org domain (openforcefield/status would be base project repo)

11. (low) Conda env yamls for each release (automated inside of Toolkit’s single-file-installer action)