Molecules
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Ground-state energy calculation | Larger molecules | Ground-state Energy (Ha)-284.4328 | 10 | |
| Molecular Property Manipulation | 1,000 unseen molecules (test) | Ranking1 | 9 | |
| Retrosynthetic Planning | 180 Molecules (test) | Success Rate (Iter 100)85 | 7 | |
| Molecular Property Prediction | Molecules OOD-Comp | Total Energy1.35 | 4 |
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