ChemistryAtlas Code
YangLing0818/IRDiff
Generative molecular designGitHubsource code3d-molecules-modelsdiffusion-modelsmolecule-generationprotein-ligand-binding-affinityprotein-ligand-dockingprotein-ligand-interactions
[ICML 2024] Interaction-based Retrieval-augmented Diffusion Models for Protein-specific 3D Molecule Generation
Why it is useful: Generative molecular design repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 39 stars, 4 forks, primary language: Python.
Homepage: https://openreview.net/forum?id=eejhD9FCP3
Citation: GitHub repository: YangLing0818/IRDiff