MD22
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Interatomic Potential Prediction | MD22 Double-walled nanotube (test) | Energy MAE0.116 | 8 | |
| Interatomic Potential Prediction | MD22 Buckyball catcher (test) | Energy MAE0.112 | 8 | |
| Interatomic Potential Prediction | MD22 AT-AT-CG-CG (test) | Energy MAE0.042 | 8 | |
| Interatomic Potential Prediction | MD22 AT-AT (test) | Energy MAE0.056 | 8 | |
| Interatomic Potential Prediction | MD22 Stachyose (test) | Energy MAE0.053 | 8 | |
| Interatomic Potential Prediction | MD22 DHA (test) | Energy MAE0.068 | 8 | |
| Interatomic Potential Prediction | MD22 Ac-Ala3-NHMe (test) | Energy MAE0.064 | 8 |
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