Molecular Energy and Force Prediction on OMol25 4M 1.0
0.2Biomol. Energy MAE (meV)AllScAIP-md-ft-cons.
Evaluation Results
| Method | Links | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| AllScAIP-md-ft-cons.Size=medium, Force training=fine-tune conservative2026.03 | 0.2 | 3.01 | 0.75 | 6.79 | 2.06 | 29.41 | 0.78 | 9.45 | 0.9 | 7.67 | |
| GemNet-OC2026.03 | 0.25 | 5.2 | 1.04 | 8.42 | 2.66 | 32.76 | 1.64 | 15.59 | 1.13 | 8.98 | |
| AllScAIP-sm-ft-cons.Size=small, Force training=fine-tune conservative2026.03 | 0.27 | 4.06 | 0.91 | 7.81 | 2.26 | 32.1 | 1.11 | 12.73 | 1.04 | 8.19 | |
| eSEN-md-d.Size=medium, Force training=direct2026.03 | 0.47 | 3.38 | 1.18 | 6.51 | 2.53 | 27.31 | 1.21 | 9.26 | 1.32 | 6.78 | |
| eSEN-sm-cons.Size=small, Force training=conservative2026.03 | 0.86 | 6.17 | 1.61 | 11.16 | 2.72 | 35.33 | 1.5 | 16.92 | 1.89 | 11.1 | |
| eSEN-sm-d.Size=small, Force training=direct2026.03 | 0.88 | 8.12 | 1.93 | 12.64 | 3.37 | 40.44 | 2.16 | 20.17 | 2.19 | 13.01 |