Molecular Property Generation on QM9
6.87Heat Capacity (Cv)Upper bound
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| Upper bound2026.06 | 6.87 | 1.61 | 8.98 | 1,464 | 645 | 1,457 | |
| Best-of-Ntraining-free=true2026.06 | 3.4 | 1.52 | 4.23 | 1,213 | 614 | 1,172 | |
| SMCtraining-free=true2026.06 | 3.22 | 1.38 | 4.09 | 1,107 | 561 | 1,103 | |
| SVDDtraining-free=true2026.06 | 3.14 | 1.41 | 4.02 | 1,140 | 557 | 1,077 | |
| TFG-Flowtraining-free=true2026.06 | 2.42 | 1.28 | 3.12 | 902 | 476 | 981 | |
| GILC-DBtraining-free=true2026.06 | 2.23 | 1.09 | 2.87 | 810 | 448 | 988 | |
| #Atoms2026.06 | 1.97 | 1.05 | 3.86 | 886 | 426 | 813 | |
| GILC-PGtraining-free=true2026.06 | 1.53 | 0.808 | 2.15 | 783 | 374 | 875 | |
| Lower bound2026.06 | 0.04 | 0.043 | 0.09 | 65 | 39 | 36 |