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changes.mady.by.user Jeffrey Wagner

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changes.mady.by.user Karmen Condic-Jurkic

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Discussion topics

Item

Notes

Roundtable Updates

  • JW – Opened CIMH for review, 1.2.0 release,

  • DD – Mostly QCF work. Finishing up CIMH review.

  • SB – Tests. Drafted mixture study manuscript. Opened #620 and identified CI failure

  • MT – Lots of fires, some system progress. Fixed AmberTools packaging issue.

  • DH – Many little things. Druglike molecule conformer generation+ relative energies. Torsion profile calcs. Writing best practices PL FE benchmarking paper.

Sprint Planning

New items:

  • OFFTK #620

  • Broken tests / QCArchive

  • Merge openmmforcefields example

  • 0.7.0 release

Action items

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