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Participants

Discussion topics

Item

Notes

Updates from MolSSI

Infrastructure advances

  • 3-mer torsiondrives

    • Opts: 233710 → 247185

    • TDs: 2 → 4

  • RNA single points

    • default opts 8864 → 8868 (100 error)

    • wb97m-d3bj/def2-tzvppd opts 682 →1603

Throughput status

User questions/issues

Science support needs

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