Molecular Energy and Force Prediction on OMol25 Full 102M 1.0 (All)
0.15Biomolecules Energy MAE (meV)GemNet-OC
Evaluation results
| Method | Links | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| GemNet-OC2026.03 | 0.15 | 3.88 | 0.56 | 5.98 | 1.83 | 25.12 | 0.86 | 10.38 | 0.66 | 6.52 | |
| AllScAIP-md-d.Size=medium, Force training=direct2026.03 | 0.15 | 2.91 | 0.52 | 4.7 | 1.83 | 22.31 | 0.72 | 6.29 | 0.64 | 5.24 | |
| AllScAIP-sm-ft-cons.Size=small, Force training=fine-tune conservative2026.03 | 0.22 | 3.84 | 0.75 | 6.01 | 2.09 | 26.02 | 1 | 8.55 | 0.85 | 6.61 | |
| AllScAIP-md-cons.Size=medium, Force training=fully conservative2026.03 | 0.22 | 3.23 | 0.53 | 5.29 | 1.86 | 22.4 | 0.59 | 7.55 | 0.67 | 5.78 | |
| eSEN-md-d.Size=medium, Force training=direct2026.03 | 0.34 | 2.61 | 0.69 | 4.4 | 1.73 | 19.99 | 0.59 | 5.63 | 0.84 | 4.76 | |
| eSEN-sm-cons.Size=small, Force training=conservative2026.03 | 0.59 | 4.61 | 1.01 | 8.08 | 2.3 | 28.86 | 0.84 | 11.11 | 1.27 | 8.25 | |
| eSEN-sm-d.Size=small, Force training=direct2026.03 | 0.67 | 6.3 | 1.24 | 9.41 | 2.53 | 33.08 | 1.23 | 13.84 | 1.49 | 9.92 |