About
DiffDock predicts 3D protein-ligand binding poses and confidence scores from PDB files and SMILES strings, enabling virtual screening for drug design. It supports batch processing and can generate protein structures from sequences, but does not predict binding affinity. Use this skill for structure-based tasks like pose prediction and ranking potential drug compounds.
Quick Install
Claude Code
Recommendednpx skills add sanand0/scientific-research -a claude-code/plugin add https://github.com/sanand0/scientific-researchgit clone https://github.com/sanand0/scientific-research.git ~/.claude/skills/diffdockCopy and paste this command in Claude Code to install this skill
GitHub Repository
Frequently asked questions
What is the diffdock skill?
diffdock is a Claude Skill by sanand0. Skills package instructions and resources that Claude loads on demand, so Claude can perform diffdock-related tasks without extra prompting.
How do I install diffdock?
Use the install commands on this page: add diffdock to Claude Code as a plugin, or clone its repository into your skills directory, then restart Claude so it picks up the skill.
What category does diffdock belong to?
diffdock is in the Design category, tagged design.
Is diffdock free to use?
Yes. diffdock is listed on AIMCP and free to install. It runs inside Claude, so no separate service account is required to use the skill itself.
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