Molecular Property Prediction on PSB3 (test)
0.03MAENequIP
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| NequIPTarget Type=Energy (E)2025.10 | 0.03 | 0.07 | 0.99 | |
| RACETarget Type=Energy (E)2025.10 | 0.04 | 0.07 | 0.99 | |
| SchNetTarget Type=Energy (E)2025.10 | 0.05 | 0.08 | — | |
| RACETarget Type=Force (F)2025.10 | 0.06 | 0.25 | 0.99 | |
| NequIPTarget Type=Force (F)2025.10 | 0.08 | 0.33 | 0.99 | |
| SchNetTarget Type=Energy (E), Formulation=Delta2025.10 | 0.08 | 0.3 | — | |
| SchNetTarget Type=Force (F)2025.10 | 0.19 | 0.39 | — | |
| SchNetTarget Type=Force (F), Formulation=Delta2025.10 | 0.3 | 1.1 | — | |
| NequIPTarget Type=Energy (E), Formulation=Delta^22025.10 | 0.47 | 0.78 | 0.99 | |
| RACETarget Type=Energy (E), Formulation=Delta^22025.10 | 0.62 | 1 | 0.99 | |
| NequIPTarget Type=Force (F), Formulation=Delta^22025.10 | 1.15 | 3.09 | 0.99 | |
| RACETarget Type=Force (F), Formulation=Delta^22025.10 | 1.53 | 3.31 | 0.99 |