diffdock

Run or plan DiffDock molecular docking workflows.

IndexedMIT

Install

Works with Claude Code, Claude apps, Codex, Cursor, Gemini CLI, GitHub Copilot, VS Code, OpenCode, Goose, Windsurf. Read the repository before you give any tool access to your data.

npx agentmarket install skill/paramjani21-diffdock

Asks which of your tools to add it to (Claude Code, Codex, Cursor, VS Code, Windsurf, Gemini CLI, Claude Desktop) and shows the change first. See https://agentmart.dev/cli.

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About

Run or plan DiffDock molecular docking workflows. Use when a task asks for protein-ligand pose prediction, docking setup, ligand/protein preparation, pose ranking, or docking-result verification.

Use cases: productivity

Reviews

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Permissions

What this skill can do and what it asks for, from its SKILL.md. Checked Oct 25, 2026.

Tools: No tools found
Secrets: None asked for
Install scripts: None found

Network hosts it talks to 1

codeload.github.com · found in install command

Files it touches

~/.claude/skills/diffdock

What's inside

Skill name: diffdock
Description: Run or plan DiffDock molecular docking workflows. Use when a task asks for protein-ligand pose prediction, docking setup, ligand/protein preparation, pose ranking, or docking-result verification.
License: MIT
Instructions: 15 lines in SKILL.md · view on GitHub

Files (1)

SKILL.md

SKILL.md (first lines)

# DiffDock

Use this skill for protein-ligand docking and pose review.

Workflow:

1. Record protein source, chain selection, binding site context, ligand identity, protonation/tautomer assumptions, and known cofactors.
2. Verify the available execution path and dependency stack before claiming a docking run is possible.
3. Preserve input PDB/mmCIF, ligand SDF/SMILES, prepared structures, command, seed, package version, and logs.
4. Save ranked poses, confidence scores, contact summaries, and 3D previews as Feynman artifacts.
5. Compare poses against known ligands, active-site residues, experimental structures, or orthogonal docking where the conclusion matters.

Report docking as a ranked hypothesis, not binding proof.

From ParamJani21/feynman, MIT.

Signals

Stars: 0
Forks: 0
Open issues: 0
Last commit (this folder): Jul 5, 2026 (3 months ago)

From GitHub (fetched Oct 24, 2026).

Details

License: MIT
Repository: github.com/ParamJani21/feynman
First seen: Oct 24, 2026
Last checked: Oct 24, 2026
Source: GitHub github-graphql

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Cite this page

diffdock skill. Agent Mart. https://agentmart.dev/skills/paramjani21-diffdock (last updated 2026-10-24)