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Participants

Discussion topics

Item

Presenter

Notes

Sage 2.1 performance on physical property benchmarks, and plans for a vdW re-fit

LW

Sage 2.2.1 valence re-fit and performance on quick QM benchmarks

LW


NAGL small molecule lookup table implementation

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

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