Comprehensive Energy Prediction on DPA-2
1.2Cu ErrorDPA-2
Evaluation Results
| Method | Links | ||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| DPA-22026.04 | 1.2 | 1.4 | 4.1 | 0.6 | 4.1 | 2.1 | 5 | 5.6 | 16.8 | 2.4 | 31.5 | 0.5 | 12.7 | 36.2 | |
| Allegro2026.04 | 1.3 | 1 | 5.6 | 0.7 | 4.2 | 18.3 | 6.9 | 4 | 21.4 | 39.2 | 54.8 | — | 13.1 | 61.3 | |
| Elements2026.04 | 1.3 | 1 | 3.4 | 2.7 | 2.4 | 1.2 | 3.8 | 4.4 | 3.7 | 2 | 9.1 | 0.8 | 6.5 | 5.8 | |
| EFV22026.04 | 1.7 | — | 5.2 | 1.1 | 5.6 | 1.9 | 19.1 | 46.8 | 8.5 | 23.4 | 34.6 | — | 29.8 | 6.7 | |
| GNO2026.04 | 6.1 | 2.7 | 8.4 | 1.5 | 17.9 | 5.9 | 44.5 | 79.1 | 14.3 | 106 | 47.7 | — | 40.5 | 25 | |
| NequIP2026.04 | 6.2 | 1.6 | 18.2 | 1.1 | 8.8 | 38 | 27.6 | 20.8 | 44 | 42.3 | 75.1 | 0.9 | 21.6 | 97.4 | |
| MACE2026.04 | 38.8 | 1.8 | — | 2.3 | 14.2 | 7.7 | 8.3 | 15.6 | 16.2 | 369.1 | 41.3 | 79.9 | — | — |