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- Joshua Horton will do a research cycle on existing open-source protomer enumeration software options
- David Dotson will reach out to Hyesu to schedule a presentation on basis set performance findings in ~3 weeks
- David Dotson will prepare MM compute spec for PhAlkEthOH dataset for our benchmarking tooling evaluation and testing
- David Dotson will schedule implementation coordination same time as this call each week through December
- Gary Tresadern will communicate conclusion on input format: neutral 3D SDF with hydrogens specified; individual choices on selection criteria for compounds
- David Dotson will complete software approach proposal; split out component work into issues on
openff-benchmarkto coordinate development
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