Multi-objective Molecule Generation on QM9 (Pareto Count Metrics)
15Pareto Count (GAP-SA)Ours (Model F)
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| Ours (Model F)seeds=32026.02 | 15 | 13 | 12 | 101 | |
| Ours (DB F)seeds=32026.02 | 13 | 10 | 11 | 89 | |
| HN-GFNseeds=32026.02 | 9 | 15 | 10 | 65 | |
| OP-GFNseeds=32026.02 | 7 | 9 | 10 | 57 | |
| MOGFNseeds=32026.02 | 6 | 12 | 8 | 77 |