Force Prediction on rMD17
1.191Force RMSE (kcal/mol/Å)Joint FT
Evaluation results
| Method | Links | |||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Joint FTScenario=5-Task Mix, Foundation Model=Orb2026.06 | 1.191 | — | — | — | — | — | — | — | — | — | — | |
| Joint FTScenario=Aspirin + Uracil, Foundation Model=Orb2026.06 | 1.408 | — | — | — | — | — | — | — | — | — | — | |
| Joint FTScenario=Ethanol + Malonaldehyde + Aspirin, Foundation Model=Orb2026.06 | 1.717 | — | — | — | — | — | — | — | — | — | — | |
| GFFMergeScenario=Aspirin + Uracil, Foundation Model=Orb2026.06 | 1.855 | — | — | — | — | — | — | — | — | — | — | |
| GFFMergeScenario=5-Task Mix, Foundation Model=Orb2026.06 | 1.892 | — | — | — | — | — | — | — | — | — | — | |
| GFFMergeScenario=Ethanol + Malonaldehyde + Aspirin, Foundation Model=Orb2026.06 | 2.193 | — | — | — | — | — | — | — | — | — | — | |
| Joint FT SBScenario=5-Task Mix, Foundation Model=Orb2026.06 | 2.217 | — | — | — | — | — | — | — | — | — | — | |
| Joint FT SBScenario=Aspirin + Uracil, Foundation Model=Orb2026.06 | 2.573 | — | — | — | — | — | — | — | — | — | — | |
| Joint FT SBScenario=Ethanol + Malonaldehyde + Aspirin, Foundation Model=Orb2026.06 | 2.884 | — | — | — | — | — | — | — | — | — | — | |
| Wt AvgScenario=Aspirin + Uracil, Foundation Model=Orb2026.06 | 7.978 | — | — | — | — | — | — | — | — | — | — | |
| TIESScenario=5-Task Mix, Foundation Model=Orb2026.06 | 8.059 | — | — | — | — | — | — | — | — | — | — | |
| TIESScenario=Aspirin + Uracil, Foundation Model=Orb2026.06 | 8.62 | — | — | — | — | — | — | — | — | — | — | |
| TIESScenario=Ethanol + Malonaldehyde + Aspirin, Foundation Model=Orb2026.06 | 11.006 | — | — | — | — | — | — | — | — | — | — | |
| Wt AvgScenario=5-Task Mix, Foundation Model=Orb2026.06 | 11.681 | — | — | — | — | — | — | — | — | — | — | |
| FisherScenario=Ethanol + Malonaldehyde + Aspirin, Foundation Model=Orb2026.06 | 12.173 | — | — | — | — | — | — | — | — | — | — | |
| FisherScenario=Aspirin + Uracil, Foundation Model=Orb2026.06 | 12.448 | — | — | — | — | — | — | — | — | — | — | |
| FisherScenario=5-Task Mix, Foundation Model=Orb2026.06 | 12.654 | — | — | — | — | — | — | — | — | — | — | |
| Wt AvgScenario=Ethanol + Malonaldehyde + Aspirin, Foundation Model=Orb2026.06 | 13.983 | — | — | — | — | — | — | — | — | — | — | |
| EMRScenario=Aspirin + Uracil, Foundation Model=Orb2026.06 | 15.647 | — | — | — | — | — | — | — | — | — | — | |
| EMRScenario=Ethanol + Malonaldehyde + Aspirin, Foundation Model=Orb2026.06 | 18.915 | — | — | — | — | — | — | — | — | — | — | |
| EMRScenario=5-Task Mix, Foundation Model=Orb2026.06 | 35.67 | — | — | — | — | — | — | — | — | — | — | |
| ACE2026.06 | — | 17.9 | 10.9 | 0.5 | 7.3 | 11.1 | 5.1 | 12.7 | 9.3 | 6.5 | 6.6 | |
| Allegro2026.06 | — | 7.3 | 2.6 | 0.2 | 2.1 | 3.6 | 0.9 | 4.9 | 2.9 | 1.8 | 1.8 | |
| ANI2026.06 | — | 40.6 | 35.4 | 10 | 13.4 | 24.5 | 29.2 | 30.4 | 29.7 | 24.3 | 21.4 | |
| BOTNet2026.06 | — | 8.5 | 3.3 | 0.3 | 3.2 | 5.8 | 1.8 | 5.8 | 4.3 | 1.9 | 3.2 | |
| DimeNet2026.06 | — | 21.6 | — | 8.1 | 10 | 16.6 | 9.3 | — | 16.2 | 9.4 | 13.1 | |
| FCHL2026.06 | — | 20.9 | 10.8 | 2.6 | 6.2 | 10.3 | 6.5 | 12.3 | 9.5 | 8.8 | 4.2 | |
| GAP2026.06 | — | 44.9 | 24.5 | 6 | 18.1 | 26.4 | 16.5 | 28.9 | 24.7 | 17.8 | 17.6 | |
| GemNet2026.06 | — | 9.5 | — | 0.5 | 3.6 | 6.6 | 1.9 | — | 5.3 | 2.2 | 3.8 | |
| MACE2026.06 | — | 6.6 | 3 | 0.3 | 2.1 | 4.1 | 1.6 | 4.8 | 3.1 | 1.5 | 2.1 | |
| MACE+PAN+PGS2026.06 | — | 5.59 | 2.51 | 0.3 | 1.88 | 3.41 | 1.32 | 4.11 | 2.62 | 1.36 | 1.78 | |
| NequIP2026.06 | — | 8.2 | 2.9 | 0.3 | 2.8 | 5.1 | 1.3 | 5.9 | 4 | 1.6 | 3.1 | |
| NewtonNet2026.06 | — | 15.1 | 5.9 | — | 9.1 | 14 | 3.6 | 11.4 | 8.5 | 3.8 | 6.4 | |
| PaiNN2026.06 | — | 16.1 | — | — | 10 | 13.8 | 3.6 | — | 9.1 | 4.4 | 6.1 |