diffdock (scientific-agent-skills)
Molecular docking skill using DiffDock for protein-ligand binding prediction.
🛡️ AgentReady threat assessment
MAESTRO 7-layer threat model + OWASP AIVSS risk score for diffdock (scientific-agent-skills), derived from its capabilities.
AIVSS 8.1 · High
View MAESTRO 7-layer threat model →Overview
One skill from K-Dense-AI's large scientific-agent-skills library — a DiffDock skill for diffusion-based protein-ligand molecular docking. Surface: injects tool-specific guidance and runs bundled Python/model code on the host.
Key features
- Diffusion-based molecular docking
- Protein-ligand binding prediction
- Part of the #1 scientific agent-skills library
Use cases
- Predict a ligand binding pose
- Run structure-based drug-discovery docking