Unconditional Molecule Generation on GEOM-DRUGS

Metric: PoseBusters Validity (higher is better)

LeaderboardDataset
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#ModelPoseBusters ValidityExtra DataPaperDateCode
1TABASCO92NoTABASCO: A Fast, Simplified Model for Molecular ...2025-07-01Code
2SemlaFlow87.5NoSemlaFlow -- Efficient 3D Molecular Generation w...2024-06-11-
3ADiT85.3NoAll-atom Diffusion Transformers: Unified generat...2025-03-05Code
4EQGAT-diff59.7NoNavigating the Design Space of Equivariant Diffu...2023-09-29-