2023-10-18 Mitchell/Wagner Check-in meeting notes

General updates

• JW – I’m offline tomorrow and day after.

• JW – How was CZI drafting?

  • JM – It went well, I wasn’t the one KCJ complained about at least.

• JW – RTD access

  • (JM handled, JW and MT should have received emails)

• JM – Working on changing where version selector goes in our docs theme

  • (we looked at a few options, top right with black backgrcound and green text looks good)

• JM – Also, I’m working on improving how docstrings/function signatures render.

Trello

https://trello.com/b/dzvFZnv4/infrastructure

To do items

1. (high) LOI for CZI

2. (high) Propose 3 workshops for Dec-Feb, including topic and format. (JW needs to report to ad board about this in Dec)

3. (medium) Add NaglToolkitWrapper to OpenFF Toolkit docs

4. (medium) Topology loading cookbook PR

5. (medium) Add autogenerated API docs (with no/minimal use of __all__, and it’s fine if things like ForceField are super deeply nested) Dropping from list since there are implementation details that right now would be hard to handle, but would be within scope if JM gets CZI grant

6. (medium) RNA (openmmforcefields) + small mol/lipid (Sage) example (nucleic acid formulations are a hot topic, could get us funding/users)

7. (medium) Take a swing at getting bond orders into Topology.visualize (and check whether it’s in Molecule.visualize)