diffdock：基于扩散的分子对接预测

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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.

技能包地址：https://skillsmp.com/skills/davila7-claude-code-templates-cli-tool-components-skills-scientific-diffdock-skill-md

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