---
title: "DiffDock - Air Market"
description: "You have a protein and a small molecule and want to know how they fit together. This handles DiffDock docking end to end: preparing both sides, running or planning the job, ranking the poses, and che…"
canonical: "https://airmarket.ai/app/diffdock"
---

[Air Market](/) / [Research](/category/research) / DiffDock

Skill by [Companion](/@companion-inc)

# DiffDock

Find where a small molecule sits on your protein

## What this does

You have a protein and a small molecule and want to know how they fit together. This handles DiffDock docking end to end: preparing both sides, running or planning the job, ranking the poses, and checking the result. Reach for it when you need a binding pose you can defend rather than just a number.

### Top 3 things it does for you

- Predict how a ligand binds a protein
- Prepare a protein and ligand for docking
- Rank the poses you got back

## Information

**DiffDock at a glance**

|  |  |
| --- | --- |
| Kind | Skill |
| Publisher | [Companion](/@companion-inc) |
| Category | [Research](/category/research) |
| Works with | Agent Skills - an open standard supported by 40+ agents |
| Size | 963 bytes |
| Licence | MIT |
| Repository | [companion-inc/feynman](https://github.com/companion-inc/feynman/tree/54d08a33dfe17abca118c093ad7f2c6b1a41421a/skills/diffdock) |
| GitHub stars | 8,551 (as of Nov 2026) |
| Installs | 36, counted by skills.sh (Nov 2026) |

## Security report

**Verified.** AIR scanned this exact version of DiffDock and flagged nothing. AIR's verdict: **safe**.

**What DiffDock's check was run against**

|  |  |
| --- | --- |
| Commit | 54d08a33dfe17abca118c093ad7f2c6b1a41421a |
| Content hash | 35520159f363140fdd88850c7f906063fa804743abfddc376f802f168885ea11 |
| Files read | [Browse the files at this exact commit](https://github.com/companion-inc/feynman/blob/54d08a33dfe17abca118c093ad7f2c6b1a41421a/skills/diffdock/SKILL.md) |

A scan is named by the exact content it read, not by a version number. A different version is a different artifact, and nothing here applies to a version AIR has not scanned.

[Read the full security report for DiffDock](/security/diffdock)

## About DiffDock

This runs or plans DiffDock molecular docking workflows for protein-ligand pose prediction.

It covers docking setup, preparing the ligand and the protein, ranking poses, and verifying docking results.

## What's inside

- SKILL.md - instructions

## Questions

### Is DiffDock safe to install?

AIR scanned this exact version of DiffDock and flagged nothing. AIR's verdict: safe. The verdict is named by the content that was read, at commit 54d08a33dfe1, so it cannot drift onto a version nobody scanned. The full report is at https://airmarket.ai/security/diffdock.

### How do I install DiffDock?

Open https://airmarket.ai/app/diffdock on Air Market and use the install action: Air Market hands Claude a prompt naming this exact skill, and Claude sets it up. Source, pinned to the exact commit this listing describes: https://github.com/companion-inc/feynman/tree/54d08a33dfe17abca118c093ad7f2c6b1a41421a/skills/diffdock. Install from that link, not the branch.

## Related on Air Market

- [More Research listings](/category/research)
- [Everything by Companion](/@companion-inc)

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Canonical URL: <https://airmarket.ai/app/diffdock>