Unconditional Molecule Generation on GEOM-DRUGS
Metric: Validity (higher is better)
Metric: Validity (higher is better)
| # | Model↕ | Validity▼ | Extra Data | Paper | Date↕ | Code |
|---|---|---|---|---|---|---|
| 1 | TABASCO | 97 | No | TABASCO: A Fast, Simplified Model for Molecular ... | 2025-07-01 | Code |
| 2 | ADiT | 95.3 | No | All-atom Diffusion Transformers: Unified generat... | 2025-03-05 | Code |
| 3 | EQGAT-diff | 94.6 | No | Navigating the Design Space of Equivariant Diffu... | 2023-09-29 | - |
| 4 | SemlaFlow | 93.9 | No | SemlaFlow -- Efficient 3D Molecular Generation w... | 2024-06-11 | - |
| 5 | MiDi | 77.8 | No | MiDi: Mixed Graph and 3D Denoising Diffusion for... | 2023-02-17 | Code |