Page Comparison

General Updates

• JW – Please fill out retreat registration https://forms.gle/TKKKGaPA8QiyM6cS7

• JM – Still haven’t booked plane flights, should I wait for company cards?

  • JW – Nope, book on your own and get reimbursed.

Rollover items

1. (high) nagl docs

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

3. (medium) BespokeFit 0.2.1 (or some sort of release that works with OFFTK >=0.11)

4. (medium) Toolkit docs cleanup

5. (medium) Centralized examples (from)

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

6. (medium) Centralized OpenFF “book” docs

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

8. (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…”)

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

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

11. (low) Check main website for broken links

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