Conditional Molecule Generation on QM9
0.1MAE (alpha)QM9
Evaluation Results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| QM92026.05 | 0.1 | 64 | 39 | 36 | 0.043 | 0.04 | |
| FLASHMOLNFE=322026.05 | 2.12 | 556 | 330 | 489 | 0.988 | 0.926 | |
| GeoLDM-respacedNFE=322026.05 | 2.14 | 565 | 342 | 491 | 0.985 | 0.933 | |
| GeoBFNNFE=1002026.05 | 2.34 | 577 | 328 | 516 | 0.998 | 0.949 | |
| GeoLDMNFE=10002026.05 | 2.37 | 587 | 340 | 522 | 1.108 | 1.025 | |
| EDMNFE=10002026.05 | 2.76 | 655 | 356 | 584 | 1.111 | 1.101 | |
| Natoms2026.05 | 3.86 | 866 | 426 | 813 | 1.053 | 1.971 | |
| Random2026.05 | 9.01 | 1,470 | 645 | 1,457 | 1.616 | 6.857 |