2023-11-01 Mitchell/Wagner Check-in meeting notes

General updates

• JM – CZI thing - I have a month to write whole proposal.

  • JW – Cool, good luck. Be sure to coordinate with other projects/generally coordinate with KCJ (do what she says even though she’s not in the “openff chain of command”).

• JW – Expensing work furniture should be fine. Not sure how much desks cost, I trust your judgement.

  • JM – Looking at some fancy desks, ballpark $1500 australian dollars. Would chip in some of my own money if OMSF budget doesn’t handle it.

  • JW – Cool, maybe check with JEastwood if it looks like OMSF would cover much more than that

• JW – Offline until Nov 29.

  • Will be without a laptop, but will have Slack access for next ~1.5 weeks.

  • Cancel meetings

  • Meet once or twice a week with MT to coordinate issue triage, PR reviews, anything else.

• JW – Made QCSubmit release. I’m 85ish% certain it’s in good shape though it may need patches/tweaks if weird behavior is found. The fitting team is meeting DD next Tuesday afternoon to try getting qca-dataset-submission running again and submitting calcs.

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Trello

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

To dos

1. (high) CZI full application

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

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