Unconditional Molecule Generation on GEOM-DRUGS

Metric: PoseBusters Atoms Connected (higher is better)

LeaderboardDataset
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#ModelPoseBusters Atoms ConnectedExtra DataPaperDateCode
1ADiT93NoAll-atom Diffusion Transformers: Unified generat...2025-03-05Code
2SemlaFlow92.3NoSemlaFlow -- Efficient 3D Molecular Generation w...2024-06-11-
3EQGAT-diff84.4NoNavigating the Design Space of Equivariant Diffu...2023-09-29-