2023-05-04 Mitchell/Wagner Check-in meeting notes

General updates

• JW – Review open bespoke issues

• JW – Update toolkit examples to use Sage-2.1.0

Trello

Talk prep

Todos

1. (highest) – First draft of full talk at our next meeting, and minimal visualization from vignettes

2. (high) Respond to Redesign issue on bespokefit

3. (high) Centralized OpenFF “book” docs

4. (high) Centralized examples (from)

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

5. (medium) Toolkit docs cleanup

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)