2022-10-26 Mitchell/Wagner Check-in meeting notes

Participants

  • @Jeffrey Wagner

  • @Josh Mitchell

Discussion topics

Item

Notes

Item

Notes

General updates

Todos

  1. (high) Prepare material for Bespokefit workshop (materials from last time)

  2. (high) Toolkit API doctests

  3. (high) Video cleanup and youtube upload

  4. (medium) Update bespokefit to work with Toolkit 0.11.0

  5. (medium) Centralized examples (from)

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

  6. (medium) Centralized OpenFF “book” docs

  7. (medium) Toolkit docs cleanup

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

  9. (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…”)

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

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

  12. (low) Check main website for broken links

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

Action items

Decisions