Molecular Generation on QM9 (Efficiency and Property Metrics)
98ValidityMolGAN (QM9)
Evaluation Results
| Method | Links | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| MolGAN (QM9)Objective=All/Simultaneously2025.04 | 98 | 2.3 | 5.83 | 0.93 | 0.51 | 0.82 | 0.69 | 0.5356 | |
| MolGANObjective=All/Simultaneously2025.04 | 97.4 | 2.4 | 2.12 | 0.91 | 0.47 | 0.84 | 0.65 | 0.5419 | |
| ORGANObjective=All/Alternated2025.04 | 96.1 | 97.2 | 10.2 | 0.92 | 0.52 | 0.71 | 0.53 | 0.4183 | |
| MetaMolGenObjective=All/Simultaneously2025.04 | 75.12 | 99.92 | 0.05 | 0.8337 | 0.8206 | 0.8553 | 0.8876 | 0.7143 | |
| RNNObjective=Sequence-based2025.04 | 49 | 99.18 | 1.5 | 0.8742 | 0.5487 | 0.8104 | 0.6849 | 0.517 | |
| MolGPTObjective=Sequence-based2025.04 | 25.2 | 100 | 1.5 | 0.8637 | 0.5162 | 0.8213 | 0.644 | 0.4836 |