Molecular Generation on QM9 (Validity, Uniqueness, FCD, NSPDK)
99.76ValidityGVT
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| GVTClass=VQVAE+AR2025.12 | 99.76 | 95.94 | 0.87 | 0.0006 | |
| SwinGNNClass=Diffusion2025.12 | 99.68 | 95.92 | 0.169 | 0.0004 | |
| PARDClass=Hybrid2025.12 | 97.5 | 95.8 | — | — | |
| GLADClass=Diffusion2025.12 | 97.12 | 97.52 | 0.201 | 0.0003 | |
| DiGressClass=Diffusion2025.12 | 95.43 | 93.78 | 0.643 | 0.0007 | |
| DGAEClass=Hybrid2025.12 | 92 | 97.61 | 0.86 | 0.0015 | |
| GDSSClass=Diffusion2025.12 | 90.36 | 94.7 | 2.923 | 0.0044 | |
| GraphDFClass=Flow-Based2025.12 | 79.33 | 95.73 | 11.283 | 0.075 | |
| GraphAFClass=Flow-Based2025.12 | 57.16 | 83.78 | 5.384 | 0.021 |