diffdock
Description
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.
How to Use
- Visit the GitHub repository to get the SKILL.md file
- Copy the file to your project root or .cursor/rules directory
- Restart your AI assistant or editor to apply the new skill
Tags
About diffdock
diffdock is an AI skill in the llm-agents category, designed to help developers and users work more effectively with AI tools. 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.
This skill has earned 2,800 stars on GitHub, reflecting strong community adoption and trust. It is compatible with claude.
Key Capabilities
Why Use diffdock
Adding diffdock to your AI workflow can significantly enhance your productivity in llm-agents tasks. With pre-defined prompt templates and best practices, this skill helps AI assistants better understand your requirements and deliver more accurate responses.
Whether you use claude, you can easily integrate this skill into your existing development environment.
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