diffdock
K-Dense-AI/claude-scientific-skills
28,042Added Jun 5, 2026
molecular-dockingdrug-designprotein-liganddiffusion-modelvirtual-screeningcomputational-chemistrystructural-biology
Summary
Diffusion-based molecular docking. Predict protein-ligand binding poses from PDB/SMILES, confidence scores, virtual screening, for structure-based drug design. Not for affinity prediction.