ligandmpnn

by open-science

Inverse-fold a backbone with ligand, nucleic-acid, and metal context using LigandMPNN (Dauparas et al. 2023, github.com/dauparas/LigandMPNN). Reach for this skill to redesign the residues lining a binding pocket around a bound small molecule or cofactor, to design metal-coordinating sites where the geometry must be respected, or to get threaded designed-sequence PDBs out of any MPNN run.

v1.0.0New

#open-science

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Run this command in your terminal. No account required — it auto-detects your AI tool and installs the skill file.

npx @skills-hub-ai/cli install open-science-ligandmpnn

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Claude Code

~/.claude/skills/<skill>/SKILL.md

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Install

One-click setup for your editor

Run in your project root

npx @skills-hub-ai/cli install open-science-ligandmpnn --target claude-code

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Frequently asked questions about ligandmpnn

What does the ligandmpnn skill do?

How do I install the ligandmpnn skill?

Run `npx @skills-hub-ai/cli install open-science-ligandmpnn` from your terminal. The CLI writes the SKILL.md to the correct location for your AI tool (e.g. ~/.claude/skills/open-science-ligandmpnn/ for Claude Code or ~/.cursor/skills/ for Cursor with --target cursor) and adds it to your project's .skills.json lockfile.

Which AI tools does ligandmpnn work with?

ligandmpnn runs in Claude Code. It follows the open Agent Skills standard (SKILL.md), so the same skill works in every supported tool without modification.

Is the ligandmpnn skill free?

Yes. Every skill on skills-hub.ai is free and open-source. There are no premium tiers, paywalls, or usage limits. You only pay for whatever AI assistant you're already using.

How do I use ligandmpnn after installing it?

In Claude Code, type `/open-science-ligandmpnn` (or whatever slash command the skill registers) and the AI follows the skill's instructions immediately. You can also reference it by name in natural language, your AI loads the skill into context when relevant.

Can I share the ligandmpnn skill with my team?

Yes. Commit your project's .skills.json lockfile and teammates run `npx @skills-hub-ai/cli install` (no args) to install every skill at the exact version you pinned. Organization-scoped installs work via skills-hub.ai organizations.