DiffSBDD
Equivariant diffusion model for structure-based drug design that generates molecules and binding conformations for protein targets.
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- Computational Biology
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- 2026-10-10
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DiffDock github.com
Diffusion generative model for molecular docking, predicting the binding pose of small molecules to protein targets.
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BindingDB Curated Sets bindingdb.org
Curated binding affinity datasets for protein–ligand interaction benchmarking.
Computational Biology › Machine Learning Tasks and Models > Drug Discovery > Molecular Generation: “Equivariant diffusion model for structure-based drug design that generates molecules and binding conformations for protein targets.”