2023-02-23 Mitchell/Wagner Check-in meeting notes

Participants

  • @Jeffrey Wagner

  • @Josh Mitchell

Discussion topics

Item

Notes

Item

Notes

General Updates

Todo

  1. (high) nagl docs

  2. (high) bespokefit package that downpins forcebalance (MT can do this but will need approvals/unblocking)

  3. (medium) Toolkit docs cleanup

  4. (medium) Centralized examples (from)

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

  5. (medium) Centralized OpenFF “book” docs

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

  7. (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…”)

  8. (medium) bibtex blocks for website “how to cite” page on

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

  10. (low) Check main website for broken links

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

Action items

Decisions