Paper | Code | PoseBusters Validity | Validity | PoseBusters Atoms Connected | ModelName | ReleaseDate |
---|---|---|---|---|---|---|
TABASCO: A Fast, Simplified Model for Molecular Generation with Improved Physical Quality | ✓ Link | 92 | 97 | TABASCO | 2025-07-01 | |
SemlaFlow -- Efficient 3D Molecular Generation with Latent Attention and Equivariant Flow Matching | 87.5 | 93.9 | 92.3 | SemlaFlow | 2024-06-11 | |
All-atom Diffusion Transformers: Unified generative modelling of molecules and materials | ✓ Link | 85.3 | 95.3 | 93.0 | ADiT | 2025-03-05 |
Navigating the Design Space of Equivariant Diffusion-Based Generative Models for De Novo 3D Molecule Generation | 59.7 | 94.6 | 84.4 | EQGAT-diff | 2023-09-29 | |
MiDi: Mixed Graph and 3D Denoising Diffusion for Molecule Generation | ✓ Link | 77.8 | MiDi | 2023-02-17 |