Amino acids
Benchmarks
| Task Name | Dataset Name | SOTA Result | Trend | |
|---|---|---|---|---|
| Energy prediction | Amino acids | MAE (mHa)0.49 | 8 | |
| Energy and force prediction | Amino acids (size extrapolation) | Energy (E)0.37 | 6 | |
| CCSD solver convergence | Amino acids (out-of-distribution) | Average Cycles3.83 | 2 | |
| Density matrix estimation | Amino acids | Frobenius Error0.13 | 2 |
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