Molecular Force Prediction on sGDML Aspirin CCSD (test)
895% CI (Lower Bound)SPN Hybrid
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| SPN HybridDescription=Sharpness ratio calculation, linj_ratio=rho(4)/rho(5)2026.05 | 8 | — | — | — | — | 11.7 | |
| SPN Hybridlinj (Injected angular degree)=42026.05 | 0.86 | — | 0.134 | — | 91 | — | |
| SPN Hybridlinj (Injected angular degree)=32026.05 | 0.7 | — | 0.136 | — | 73 | — | |
| SPN Hybridlinj (Injected angular degree)=52026.05 | 0.05 | — | 0.141 | — | 8 | — | |
| NequIP (L=2)linj (Injected angular degree)=32026.05 | — | 0.159 | — | — | — | — | |
| NequIP (L=2)linj (Injected angular degree)=42026.05 | — | 0.166 | — | — | — | — | |
| NequIP (L=2)linj (Injected angular degree)=52026.05 | — | 0.142 | — | — | — | — | |
| NequIP (L=4)linj (Injected angular degree)=32026.05 | — | — | — | 0.129 | — | — | |
| NequIP (L=4)linj (Injected angular degree)=42026.05 | — | — | — | 0.132 | — | — | |
| NequIP (L=4)linj (Injected angular degree)=52026.05 | — | — | — | 0.128 | — | — |