skills/claude-scientific-skills
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Timothy Kassis
2025-12-31 13:57:51 -08:00
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scientific-skills/diffdock/SKILL.md
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---
name: 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."
metadata:
skill-author: K-Dense Inc.
---
# DiffDock: Molecular Docking with Diffusion Models