Energy prediction on Amino acids
0.49MAE (mHa)MACE (∆-MP2)
Evaluation results
| Method | Links | |
|---|---|---|
| MACE (∆-MP2)Complexity=O(N5), Training set size=Full (5732 molecules)2026.02 | 0.49 | |
| MōLe-100Complexity=O(N5), Training set size=100 molecules2026.02 | 0.67 | |
| MōLeComplexity=O(N5), Training set size=Full (5732 molecules)2026.02 | 0.78 | |
| eSEN (∆-MP2)Complexity=O(N5), Training set size=Full (5732 molecules)2026.02 | 1.56 | |
| MACE-100 (∆-MP2)Complexity=O(N5), Training set size=100 molecules2026.02 | 5.53 | |
| eSEN-100 (∆-MP2)Complexity=O(N5), Training set size=100 molecules2026.02 | 7.43 | |
| MACEComplexity=O(N)–O(N2), Training set size=Full (5732 molecules)2026.02 | 10.6 | |
| MACE-100Complexity=O(N)–O(N2), Training set size=100 molecules2026.02 | 26.41 |