Goals
Interchange workshop (expected length: ?)
Science talks (10 min x ? people)
Dates
-
...
Fly into SNA (John Wayne Airport, Orange County) if possible (coordinate in advance with David Mobley if flying to LAX is dramatically easier / cheaper for you)
Stay in an airport hotel (e.g. https://www.hilton.com/en/hotels/snaiohx-hampton-suites-irvine-orange-county-airport/ )
...
Meetings will be held on campus at UC Irvine, mostly in Burke Hall. No visitor badges needed.
(Some) Morning sessions will be hybrid on zoom.
Attendees
Trevor Gokey?
Meghan Osato? as they are interested
Julianne Hoeflich
Barbara Morales
- John Chodera
(limited days, tbd)
Chapin Cavender (Thursday - Friday)
Daniel Cole (via zoom for morning sessions)
Finlay Clark
Micaela Matta (via zoom, when schedule allows)
Hannah Turney (via zoom, when schedule allows)
Schedule
Day | Morning | Afternoon |
|---|---|---|
Monday | Roadmap status updates ForceBalance replacement (ft. DCole via zoom) Maybe OpenFE benchmarking update | Roadmap status updates |
Tuesday | Roadmap brainstorming | Roadmap planning + communication strategy |
Wednesday | Product roadmaps (Interchange, BespokeFit, PTM workflow, docs) | Product roadmaps cont. |
Thursday | Product roadmap – protein force field Deep Dives - Informal user+developer discussions on focus areas (likely: polymers, QM level of theory, modified proteins, lipids, water models, dataset archival/access, Interoperability, atomic charges, nonbonded training and functional forms, PL binding/free energy calcs) | Deep Dives cont., possibly beginning of hackathon |
Friday | Hackathon (cookiecutter practice) | Hackathon (website / blog) |