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\uD83D\uDDD3 Date

\uD83D\uDC65 Participants

\uD83D\uDDE3 Discussion topics

Item

Notes

Updates from MolSSI

Infrastructure advances


Throughput status

  1. OpenFF Protein Capped 3-mer Backbones v1.0

    • Opts: 310894 → 311229 → stuck at this, might be a longer run

    • TDs: 20 → 22 → stuck at this

  2. OpenFF Protein Capped 1-mer Sidechains v1.2

    • TDs: 44 → 45 (remaining 1)

    • Stuck on 155215 for a week - might be a longer run or not

  3. RNA Trinucleotide Single Point Dataset v1.0 - Almost complete!

    • 57299 → 24362 → 7 remaining (might be longer runs, no status updates for the last three days)

User questions/issues

Science needs

✅ Action items

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⤴ Decisions

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