Open Catalyst
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Initial Structure to Relaxed Structure (IS2RS) | Open Catalyst OC20 (test) | AFbT0.117 | 32 | |
| Initial Structure to Relaxed Energy (IS2RE) | OC20 (Open Catalyst 2020) IS2RE (test) | Energy MAE (Avg)0.4143 | 30 | |
| S2EF | Open Catalyst S2EF 2020 (OOD Both) | MAE (Force)0.0356 | 11 | |
| S2EF | Open Catalyst S2EF 2020 (OOD Cat.) | Force MAE0.0285 | 11 | |
| S2EF | Open Catalyst S2EF 2020 (OOD Ads.) | Force MAE0.0277 | 11 | |
| S2EF | Open Catalyst S2EF 2020 (ID) | Force MAE0.0269 | 11 |
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