Conditional 2D Molecular Graph Generation on Synth. & HIV
92.8DiversityMOOD
Evaluation Results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| MOODParadigm=Diffusion2025.10 | 92.8 | 13.61 | 2.314 | 51.06 | 9.8 | |
| DiGressParadigm=Diffusion2025.10 | 91.94 | 85.62 | 1.922 | 53.35 | 9.1 | |
| DiGress v2Paradigm=Diffusion2025.10 | 91.93 | 84.76 | 1.593 | 53.31 | 9.2 | |
| LSTM-HCParadigm=Tradition2025.10 | 90.91 | 91.45 | 0.948 | 67.36 | 7.8 | |
| TreeDiffParadigm=Inference-Time2025.10 | 90.41 | 96.9 | 0.302 | 97.9 | 1.9 | |
| Graph-GAParadigm=Tradition2025.10 | 89.93 | 96.61 | 0.984 | 60.35 | 7.3 | |
| Graph DiTParadigm=Diffusion2025.10 | 89.74 | 95.75 | 0.309 | 97.77 | 4.8 | |
| TAGMolParadigm=Inference-Time2025.10 | 89.62 | 95.17 | 0.325 | 97.56 | 4.5 | |
| Best-of-NParadigm=Inference-Time2025.10 | 88.54 | 95.61 | 0.36 | 97.01 | 5.8 | |
| SVDDParadigm=Inference-Time2025.10 | 88.04 | 95.73 | 0.395 | 96.83 | 6.3 | |
| Beam SearchParadigm=Inference-Time2025.10 | 87.88 | 95.84 | 0.345 | 97.2 | 5.3 | |
| MARSParadigm=Tradition2025.10 | 87.64 | 65.17 | 0.969 | 64.55 | 9.5 | |
| JTVAE-BOParadigm=Tradition2025.10 | 80.55 | 41.73 | 1.236 | 48.5 | 11.8 | |
| GDSSParadigm=Diffusion2025.10 | 78.17 | 10.32 | 1.252 | 48.3 | 11.9 |