Conditional Molecule Generation on QM9 (test)
90.3Molecule StabilityTCS
Evaluation results
| Method | Links | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| TCS2024.11 | 90.3 | — | — | 94.9 | 0.904 | — | — | — | — | |
| TACS2024.11 | 83.6 | — | — | 92.4 | 0.659 | — | — | — | — | |
| EDM2024.11 | 81 | — | — | 90.4 | 1.072 | — | — | — | — | |
| EEGSDE2024.11 | 81 | — | — | 90.5 | 1.044 | — | — | — | — | |
| OGmode=online guidance2024.11 | 30.2 | — | — | 51.9 | 0.184 | — | — | — | — | |
| Twigs2024.10 | 0.9272 | — | 0.9914 | — | — | 0.9316 | — | — | — | |
| JODO2024.10 | 0.9175 | — | 0.9774 | — | — | 0.9121 | — | — | — | |
| EEGSDE2024.10 | 0.8083 | — | 0.9825 | — | — | 0.8353 | — | — | — | |
| TEDMol2024.10 | 0.8083 | — | 0.9827 | — | — | 0.8382 | — | — | — | |
| EDM2024.10 | 0.8082 | — | 0.9825 | — | — | 0.8364 | — | — | — | |
| TDDMablation=Χ_{t<0.9T} = 02023.05 | 0.6172 | — | — | 0.7781 | — | — | — | — | — | |
| TDDMguidance=Trans-Dimensional Diffusion Guidance2023.05 | 0.5911 | — | — | — | — | — | — | — | — | |
| TDDMablation=without Proposition 3 parameterization2023.05 | 0.5502 | — | — | 0.7381 | — | — | — | — | — | |
| TDDMablation=constant Χ_t2023.05 | 0.4362 | — | — | 0.6341 | — | — | — | — | — | |
| EDM2024.10 | — | — | — | — | — | — | 1.097 | 1.156 | — | |
| EDM2024.10 | — | — | — | — | — | — | — | 1.13 | 683 | |
| EEGSDE2024.10 | — | — | — | — | — | — | 0.981 | 0.912 | — | |
| EEGSDE2024.10 | — | — | — | — | — | — | — | 0.866 | 563 | |
| JODO2024.10 | — | — | — | — | — | — | 0.634 | 0.716 | — | |
| JODO2024.10 | — | — | — | — | — | — | — | 0.752 | 350 | |
| L-bound2024.11 | — | — | — | — | 0.04 | — | — | — | — | |
| TEDMol2024.10 | — | — | — | — | — | — | 0.645 | 0.836 | — | |
| TEDMol2024.10 | — | — | — | — | — | — | — | 0.843 | 489 | |
| Twigs2024.10 | — | — | — | — | — | — | 0.602 | 0.708 | — | |
| Twigs2024.10 | — | — | — | — | — | — | — | 0.74 | 343 | |
| U-bound2024.11 | — | — | — | — | 6.879 | — | — | — | — |