Molecule Generation on QM9 (Stability Metrics)
0.9261Mol StabilityP-GRAFT(0.25N)
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| P-GRAFT(0.25N)Fine-tuning=true, Sampling Rounds=1×2025.10 | 0.9261 | — | — | |
| GRAFTFine-tuning=true, Sampling Rounds=9×2025.10 | 0.9076 | — | — | |
| BaselineFine-tuning=true2025.10 | 0.905 | — | — | |
| P-GRAFT(0.5N)Fine-tuning=true, Sampling Rounds=1×2025.10 | 0.9046 | — | — | |
| EDMEquivariance=E(3) equivariant2022.03 | 0.82 | -110.7 | 0.987 | |
| GDM-augEquivariance=Non-equivariant, Data Augmentation=Random rotations2022.03 | 0.716 | -92.5 | 0.976 | |
| G-SchnetEquivariance=E(3) equivariant2022.03 | 0.681 | — | 0.957 | |
| GDMEquivariance=Non-equivariant2022.03 | 0.632 | -94.7 | 0.97 | |
| E-NFEquivariance=E(3) equivariant2022.03 | 0.049 | -59.7 | 0.85 |