Participants
Discussion topics
Item | Presenter | Notes |
|---|---|---|
Sage 2.2.1 valence re-fit and performance on quick QM benchmarks | LW | |
Sage 2.1 performance on physical property benchmarks, and plans for a vdW re-fit | LW | |
Additional molecules to get phosphate coverage in upcoming QM fit. | MRS/PF | (list of molecule to be submitted 7/2/2024 to be discussed, will post link here). |
Density and dHmix properties with dPol model and Sage 2.1 valence terms | WW | |
NAGL small molecule lookup table implementation | LW |
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