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\uD83D\uDDD3 Date

\uD83D\uDC65 Participants

\uD83E\uDD45 Goals

  • Updates from MolSSI

  • New submissions

    • Modified submissions: SPICE sets v1.2 (pubchem sets in queue)

  • Throughput status

    • OpenFF ESP Industry Benchmark Set v1.0: 6748/56054 ~12% from last week

    • Openff dipeptides torsiondrives v2.0: 23/26 TD complete from 19/26 last week

    • SPICE DES370K Single Points Dataset v1.0: 323K+ from 234K+ last week ~ 93% from 67%

    • SPICE Dipeptides Single Points Dataset v1.2: 12552/33K ~ 37% done

  • User questions/issues

  • Science support needs

  • Infrastructure needs/advances

\uD83D\uDDE3 Discussion topics

Time

Item

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✅ Action items

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⤴ Decisions

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