Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation

Zhilin Huang, Ling Yang, Xiangxin Zhou, C. Qin, Yijie Yu +5 more
2/12/2026

No official code found. Best implementation: YangLing0818/IRDiff (39 stars, MIT, last commit 2024-09-06).

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YangLing0818/IRDiffCommunity64%
MIT

[ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation

394Shell, PythonMay 27, 20242 years agoMIT
3d-molecules-modelsdiffusion-modelsmolecule-generationprotein-ligand-binding-affinityprotein-ligand-docking+1 more

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Cite this paper

@article{huang2026interactionbased,
  title  = {Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation},
  author = {Zhilin Huang and Ling Yang and Xiangxin Zhou and C. Qin and Yijie Yu and Xiawu Zheng and Zikun Zhou and Wentao Zhang and Yu Wang and Wenming Yang},
  year   = {2026},
  url    = {https://api.semanticscholar.org/CorpusID:4976f7d7f97a83ab255a57d266c19cf094f2652a},
  journal = {ICML 2024 2024}
}

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