diffdock
About
DiffDock is a diffusion-based AI tool for predicting 3D binding poses of a ligand to a protein target, essential for structure-based drug design. It processes protein structures (PDB) or sequences and ligand inputs (like SMILES) to generate poses with confidence scores, supporting both single predictions and virtual screening. Use this skill for binding pose prediction and docking tasks, but note it does not predict binding affinity.
Quick Install
Claude Code
Recommendednpx skills add Microck/ordinary-claude-skills -a claude-code/plugin add https://github.com/Microck/ordinary-claude-skillsgit clone https://github.com/Microck/ordinary-claude-skills.git ~/.claude/skills/diffdockCopy and paste this command in Claude Code to install this skill
GitHub Repository
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