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.
- Skills
- Scientific
- 8
What it does and how to use it
A skill that teaches Claude Code to do scientific tasks well. It is packaged knowledge the model uses whenever it is relevant.
- Install the skill (command above).
- In Claude Code, describe what you need - the skill turns on by itself when the context fits.
- No commands to memorize: you talk in plain language and the skill does the rest.
Install (Claude Code)
mkdir -p .claude/skills/diffdock && curl -fsSL https://doutorai.pt/data/lib/skills__diffdock.md -o .claude/skills/diffdock/SKILL.mdPaste this command into the terminal, in your project folder, and the component installs automatically.
Content
---
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."
---
# DiffDock: Molecular Docking with Diffusion Models
## Overview
DiffDock is a diffusion-based deep learning tool for molecular docking that predicts 3D binding poses of small molecule ligands to protein targets. It represents the state-of-the-art in computational docking, crucial for structure-based drug discovery and chemical biology.
**Core Capabilities:**
- Predic
- 🔒 Full content on the Pro plan (€7.99/month) -Need help with Claude Code?
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