| Dataset Name | SOTA Method | Metric | Trend | ||
|---|---|---|---|---|---|
| QM9 frontier-orbital (test) | TransDLM | Mean Opt Value0.006 | 30 | 22d ago | |
| ZINC-250k | Ours (GA/BGNN) | logP25.26 | 30 | 3mo ago | |
| topical drug | π(·|y*) | Normalized Reward63 | 10 | 1mo ago | |
| soluble permeable | π(·|y*) | Normalized Reward0.6 | 10 | 1mo ago | |
| selective 3d druglike | π(·|y*) | Normalized Reward0.81 | 10 | 1mo ago | |
| rigid potent | π(·|y*) | Normalized Reward82 | 10 | 1mo ago | |
| ppi inhibitor | π(·|y*) | Normalized Reward86 | 10 | 1mo ago | |
| oral bioavailable | π(·|y*) | Normalized Reward0.56 | 10 | 1mo ago | |
| Metabolically Stable | π(·|y*) | Normalized Reward96 | 10 | 1mo ago | |
| QED maximize | π(·|y*) | Normalized Reward74 | 10 | 1mo ago | |
| macrocycle like | π(·|y*) | Normalized Reward1.23 | 10 | 1mo ago | |
| low tpsa high logp | Normalized Reward2.1 | 10 | 1mo ago | ||
| low tox proxy | Normalized Reward1.14 | 10 | 1mo ago | ||
| low mw high potency | Normalized Reward0.47 | 10 | 1mo ago | ||
| lipophilic efficiency | Reward Weighted Classifier-Free Guidance (RCFG) | Normalized Reward0.6 | 10 | 1mo ago | |
| lead like | π(·|y*) | Normalized Reward84 | 10 | 1mo ago | |
| kinase like | π(·|y*) | Normalized Reward92 | 10 | 1mo ago | |
| inhaled drug | π(·|y*) | Normalized Reward0.56 | 10 | 1mo ago | |
| high mw high qed | Normalized Reward2.84 | 10 | 1mo ago | ||
| gpcr like | π(·|y*) | Normalized Reward85 | 10 | 1mo ago | |
| fragment like | π(·|y*) | Normalized Reward71 | 10 | 1mo ago | |
| easy synth druglike | Normalized Reward0.99 | 10 | 1mo ago | ||
| drug like | π(·|y*) | Normalized Reward0.71 | 10 | 1mo ago | |
| CNS Penetrant | Normalized Reward57 | 10 | 1mo ago | ||
| antibacterial like | π(·|y*) | Normalized Reward90 | 10 | 1mo ago |
