Unconditional Molecule Generation on GEOM-DRUGS
Metric: PoseBusters Atoms Connected (higher is better)
Metric: PoseBusters Atoms Connected (higher is better)
| # | Model↕ | PoseBusters Atoms Connected▼ | Extra Data | Paper | Date↕ | Code |
|---|---|---|---|---|---|---|
| 1 | ADiT | 93 | No | All-atom Diffusion Transformers: Unified generat... | 2025-03-05 | Code |
| 2 | SemlaFlow | 92.3 | No | SemlaFlow -- Efficient 3D Molecular Generation w... | 2024-06-11 | - |
| 3 | EQGAT-diff | 84.4 | No | Navigating the Design Space of Equivariant Diffu... | 2023-09-29 | - |