2022-05-18 Mitchell/Wagner Check-in meeting notes

General updates

• A different member of the ad board called out the high quality of docs today!

• Your BespokeFit PR got steamrolled by my significant changes to the quickstart guide. Let's see if we can patch that up.

  • This is something we could work on today

  • Fnalized+accepted

• Pair-reviewed https://github.com/openforcefield/openff-bespokefit/pull/167/files# , weren’t able to run common workflow locally. JM reported problem and requested changes.

• JM – My thesis date is coming up and I’d like to take some time off. What’s the procedure for that?

  • JW –

    • Ask me - (Approved!)

    • Tell Remote

    • Post on the #status channel when you’ll be unavailable

    • Add it as an all-day event on the OFF calendar.

  •  

Todo

1. (high) Review

2. (medium) Centralized examples (from 2022-04-27 Mitchell/Wagner Check-in meeting notes

3. )

   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 http://openforcefield.org

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)