Energy Prediction on Dihedral scan
0.22MAE (mHa)MōLe
Evaluation results
| Method | Links | |
|---|---|---|
| MōLeComplexity=O(N5), Training set size=Full (5732 molecules)2026.02 | 0.22 | |
| MōLe-100Complexity=O(N5), Training set size=100 molecules2026.02 | 0.33 | |
| MACE (∆-MP2)Complexity=O(N5), Training set size=Full (5732 molecules)2026.02 | 0.35 | |
| eSEN (∆-MP2)Complexity=O(N5), Training set size=Full (5732 molecules)2026.02 | 0.59 | |
| MACE-100 (∆-MP2)Complexity=O(N5), Training set size=100 molecules2026.02 | 0.79 | |
| eSEN-100 (∆-MP2)Complexity=O(N5), Training set size=100 molecules2026.02 | 2.74 | |
| MACEComplexity=O(N)–O(N2), Training set size=Full (5732 molecules)2026.02 | 4.61 | |
| MACE-100Complexity=O(N)–O(N2), Training set size=100 molecules2026.02 | 15.37 |