2022-02-16 Mitchell/Wagner Check-in meeting notes

General Updates

• JW – No word on Swope yet.

• JM – SB reviewed my PR and added a lot to it. This got merged along with a flurry of other PRs in the past few days.

• Another round of feedback on

  • JW messaged mobley to resolve other remaining doubts.

  • JW will chat with SB and ask for feedback on this. If there hasn’t been any feedback by our next check in, then JW will approve it.

• • JW commented but didn’t approve. JW would like the lazy-loading solution more than the openff.toolkit.app approach, but doesn’t know enough about importing to go ahead with it. Asked LW or MT to give an approving review if they could vouch for it.

• JW – What’s the best way to handle big table like in molecule conversion docs?

  • JM – Break up into a table/section per column? Could also open an issue on the theme repo about big tables being hard to visualize.

To-dos

1. Feb 23 TODO FOR JEFF: Follow up on COOH conformer PR (approve if no feedback)

2. (high) QCSubmit users guide (in progress)

3. (high) ELF10 COOH conformer rotation issue (in progress)

4. (medium) Toolkit API desire paths

5. (medium) Toolkit docs cleanup

6. (medium) Toolkit revised user guide

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. (low) “How to cite” section on website (do not start, pending feedback)

9. (low) Check main website for broken links

10. (low) migrate docs to be under http://openforcefield.org domain (openforcefield/status would be base project repo)

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