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diffdock | SkillsHunt

diffdock

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.

170

1.1k

3

SKILL.md GitHub

Using

Using Skills in Claude.ai

Navigate to Settings > Capabilities.
Ensure that Code execution and file creation is enabled.
Scroll to the Skills section.
In the Skills section, click "Upload skill"
Upload your ZIP file
Your skill will appear in your Skills list and can be toggled on or off

Using Skills with Claude Code

Using Skills with API

Using Skills in the SDK

Detail

Documentation for this skill is coming soon

Category

Science & Computing

Author

K-Dense-AI

Added at

October 27, 2025

molecular dockingprotein-ligand bindingvirtual screeningstructure-based drug design