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Participants

Goals

  • Plans for Rosemary benchmark

    • Small molecules

    • Proteins

Discussion topics

Item

Presenter

Notes

Rosemary benchmark - small molecules

Chapin Cavender

Rosemary benchmark - proteins

Chapin Cavender

Compute for protein benchmarks

Jeffrey Wagner

  • Talked to SB - If protein observable benchmark sims will be run on F@H, there’s little benefit to having the analysis implemented in Evaluator. So we’ll want to think about which repo we could keep the submission, trajectory pulldown, and analysis scripts in, and how that will be reproducible (record software versions etc)

Action items

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Decisions

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