2023-05-31 Mitchell/Wagner Check-in meeting notes

General updates

• JW — I’m offline from the end of this meeting until Monday.
  JW — Looks like you’ll begin work with OpenFE in mid-Julyish
  JW — Could you update toolkit examples to use Sage-2.1.0
  JW — FYI - I’ll be talking at Scipy and doing a poster at Gordon.
  JW — Support@openforcefield access - Screenshare to resolve. Is there an alternate way to get in via delegation?

Trello

Issues and PRs

To dos

1. (highest) – Continue outlining talk slides, work out rough timing, start work on some vignettes, figure out nglview → gif pathway

2. (high) Centralized OpenFF “book” docs

3. (high) Centralized examples (from)

   1. (high) bespokefit protein-ligand or ligand-in-water example

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

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

9. (low) Check main website for broken links

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