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Participants

Discussion topics

Item

Notes

Task planning

  • Can move ahead with reference dataset, even if some details aren’t hammered out in the SMIRNOFF spec – Lots of peolpe just want to know if they’re getting torsions right, don’t care as much about precise agreement with long-range forces

Units PR

Topology performance/molecule grouping merge

Pushing molecule grouping updates into interchange

Topology-export-to-different-format needs

Action items

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Decisions

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