Molecule Generation on GEOM-DRUGS 10,000 sampled molecules (test)
94.1PoseBusters ValidityZATOM-1
Evaluation results
| Method | Links | ||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| ZATOM-1inductive bias=minimal2026.02 | 94.1 | 93.6 | 99.93 | 99.6 | 99.6 | 99.7 | 100 | 100 | 99.3 | 96.4 | |
| GEOM-Drugstype=Ground Truth / Dataset baseline2026.02 | 94 | — | — | — | — | — | — | — | — | — | |
| TABASCO2026.02 | 91.6 | 97.6 | 99.03 | 99.9 | 99.2 | 99.4 | 100 | 99.8 | 99.4 | 94.3 | |
| SemlaFlowtype=highly optimized equivariant diffusion model2026.02 | 87.5 | 93.9 | 100 | 92.3 | 94.8 | 94.6 | 94.9 | 94.2 | 94.8 | 92 | |
| ADiTtype=non-equivariant latent diffusion model2026.02 | 85.3 | 95.3 | 100 | 93 | 92.3 | 92.5 | 95.4 | 95.3 | 91.3 | 91.8 | |
| EQGAT-diff2026.02 | 59.7 | 94.6 | 100 | 84.4 | 86.9 | 87 | 87 | 87 | 86.8 | 82.9 |