Goals
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Interchange workshop (expected length: ?)
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Dates
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Logistics
Fly into SNA (John Wayne Airport, Orange County) if possible
Stay in an airport hotel (e.g. https://www.hilton.com/en/hotels/snaiohx-hampton-suites-irvine-orange-county-airport/ )
David will provide shuttle service from airport hotels to campus each morning / evening
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
Willa Wang (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 PDB loader status by JM |
Tuesday | Roadmap brainstorming | Roadmap planning + communication strategy (JM available starting about 2 PM) |
Wednesday | Product roadmaps (Interchange, DCole for BespokeFit, NAGL) | Product roadmaps cont. (JM available at 2 for docs, PTM workflow) |
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 (openff-units) |
Friday | Hackathon (cookiecutter practice) | Hackathon (website / blog) (no JM, australian Saturday) |