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\uD83D\uDDD3 Date
\uD83D\uDC65 Participants
\uD83E\uDD45 Goals
\uD83D\uDDE3 Discussion topics
Item | Notes |
|---|
Updates from MolSSI | |
Infrastructure needs/advances
| |
Throughput status | OpenFF Protein Capped 1-mer Sidechains v1.3 - 45/61 TDs SPICE PubChem Set 2 Single Points Dataset v1.2: 19 left (almost all are consistent errors) SPICE PubChem Set 3 Single Points Dataset v1.2: 31 left (almost all are consistent errors) SPICE PubChem Set 4 Single Points Dataset v1.2: 70787 from 8162, 52K more remaining. We can push set 5 to compute.
|
User questions/issues | |
Science support needs | |
✅ Action items
⤴ Decisions
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