Page Comparison

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• David Dotson

• Trevor Gokey

Goals

• Walkthrough of Trevor’s existing tooling for benchmarking work

Discussion topics

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Item	Presenter	Notes
Benchmarking infrastructure	Trevor	TG: demo of functionality in offsb.ui.qca.torsiondrive This is a data access interface for pulling TorsionDrive data from QCArchive into a form useful to Open Force Field for benchmarking features thoughtful caching of data elements requested for downstream analysis DD: these components give us a great head start for a performant data access layer for e.g. a benchmarking dashboard webapp also would be central to the decision-making components of a feedback loop taking results from QCA, performing a coverage analysis of FF params, choosing new torsiondrives and creating a submission to fill gaps

Action items

Decisions