Chirality classification on SPICE-MACE-OFF Chirality Subset (val)
68.1Validation Accuracy (Epoch 1)NequIP
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| NequIP2026.07 | 68.1 | 97 | 97.6 | 98.43 | 16.1 | |
| MACE2026.07 | 67.8 | 96.8 | 97.3 | 98.34 | 18.2 | |
| SpinGTP2026.07 | 67.4 | 97.5 | 98.4 | 98.79 | 10.9 | |
| MACE-Gaunt2026.07 | 64.9 | 95.5 | 95.8 | 98.3 | 24.3 |