Energy Prediction on PubChem
1.63MAE (mHa)MōLe
Evaluation results
| Method | Links | |
|---|---|---|
| MōLeComplexity=O(N5), Training set size=Full (5732 molecules)2026.02 | 1.63 | |
| MACE (∆-MP2)Complexity=O(N5), Training set size=Full (5732 molecules)2026.02 | 2.24 | |
| MōLe-100Complexity=O(N5), Training set size=100 molecules2026.02 | 2.8 | |
| eSEN (∆-MP2)Complexity=O(N5), Training set size=Full (5732 molecules)2026.02 | 4.66 | |
| MACE-100 (∆-MP2)Complexity=O(N5), Training set size=100 molecules2026.02 | 5.29 | |
| eSEN-100 (∆-MP2)Complexity=O(N5), Training set size=100 molecules2026.02 | 17.41 | |
| MACEComplexity=O(N)–O(N2), Training set size=Full (5732 molecules)2026.02 | 17.74 | |
| MACE-100Complexity=O(N)–O(N2), Training set size=100 molecules2026.02 | 64.89 |