Molecular Force and Energy Prediction on rMD17
0.998R^2 (Force)Joint FT
Evaluation results
| Method | Links | ||
|---|---|---|---|
| Joint FTScenario=5-Task Mix, Backbone=M3GNet2026.06 | 0.998 | 1 | |
| Joint FTScenario=Aspirin+Uracil, Backbone=M3GNet2026.06 | 0.997 | 1 | |
| Joint FTScenario=Eth+Mal+Asp, Backbone=M3GNet2026.06 | 0.997 | 1 | |
| GFFMergeScenario=Aspirin+Uracil, Backbone=M3GNet2026.06 | 0.995 | 1 | |
| GFFMergeScenario=Eth+Mal+Asp, Backbone=M3GNet2026.06 | 0.994 | 1 | |
| GFFMergeScenario=5-Task Mix, Backbone=M3GNet2026.06 | 0.994 | 1 | |
| Joint FT SBScenario=5-Task Mix, Backbone=M3GNet2026.06 | 0.991 | 1 | |
| Joint FT SBScenario=Eth+Mal+Asp, Backbone=M3GNet2026.06 | 0.978 | 1 | |
| Joint FT SBScenario=Aspirin+Uracil, Backbone=M3GNet2026.06 | 0.962 | 1 | |
| FisherScenario=Aspirin+Uracil, Backbone=M3GNet2026.06 | 0.961 | 1 | |
| Wt AvgScenario=Aspirin+Uracil, Backbone=M3GNet2026.06 | 0.956 | 1 | |
| EMRScenario=Aspirin+Uracil, Backbone=M3GNet2026.06 | 0.943 | 1 | |
| EMRScenario=5-Task Mix, Backbone=M3GNet2026.06 | 0.928 | 1 | |
| Wt AvgScenario=Eth+Mal+Asp, Backbone=M3GNet2026.06 | 0.927 | 1 | |
| FisherScenario=Eth+Mal+Asp, Backbone=M3GNet2026.06 | 0.919 | 1 | |
| Wt AvgScenario=5-Task Mix, Backbone=M3GNet2026.06 | 0.909 | 1 | |
| TIESScenario=5-Task Mix, Backbone=M3GNet2026.06 | 0.9 | 1 | |
| EMRScenario=Eth+Mal+Asp, Backbone=M3GNet2026.06 | 0.888 | 1 | |
| TIESScenario=Aspirin+Uracil, Backbone=M3GNet2026.06 | 0.885 | 1 | |
| FisherScenario=5-Task Mix, Backbone=M3GNet2026.06 | 0.863 | 1 | |
| TIESScenario=Eth+Mal+Asp, Backbone=M3GNet2026.06 | 0.829 | 1 |