Molecule Generation on QM9 (test) (Structural Validity Checks)
99.98Atom ConnectivityZATOM-1
Evaluation results
| Method | Links | |||||||
|---|---|---|---|---|---|---|---|---|
| ZATOM-1Training strategy=jointly trained2026.02 | 99.98 | 99.95 | 99.97 | 100 | 99.99 | 99.78 | 99.81 | |
| PLATOM-1Training strategy=QM9-only2026.02 | 99.97 | 99.94 | 99.96 | 100 | 100 | 99.73 | 99.84 | |
| ZATOM-1Training strategy=QM9-only2026.02 | 99.95 | 99.9 | 99.89 | 100 | 100 | 99.63 | 99.81 | |
| SymphonyTraining strategy=QM9-only2026.02 | 99.92 | 99.56 | 98.72 | 100 | 99.07 | 95.65 | 98.16 | |
| Eq. Diff.Training strategy=QM9-only2026.02 | 99.88 | 99.98 | 100 | 100 | 98.58 | 94.88 | 99.79 | |
| ADiTTraining strategy=jointly trained2026.02 | 99.7 | 99.85 | 99.41 | 100 | 99.98 | 95.86 | 99.79 |