Interatomic Potential modeling on ab initio liquid water (test)
93.1Coverage@95Ensemble(cal)
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| Ensemble(cal)Inference Time per-atom (ms)=0.463 ± 0.067, Isotropic calibration parameter σ2=fit on validation set2026.02 | 93.1 | — | — | 25.6 | 2.74 | |
| Ensemble(raw)Inference Time per-atom (ms)=0.463 ± 0.0672026.02 | 25.5 | — | — | 38 | 237.62 |