proteinmpnn

Design protein sequences for given backbone structures using ProteinMPNN.

11|Updated Mar 4, 2026
One-click install
npx skills add https://github.com/junior1p/ProteinClaw --skill proteinmpnn-junior1p
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: proteinmpnn
Source: https://github.com/junior1p/ProteinClaw/tree/main/skills/proteinmpnn
Command: npx skills add https://github.com/junior1p/ProteinClaw --skill proteinmpnn-junior1p

SYSTEM DOCUMENTATION & REQUIREMENTS

What problem does it solve?

This Skill automates designing high-quality protein sequences for provided backbone structures, reducing manual iteration and accelerating binder and protein engineering workflows.

Core Features & Use Cases

  • Inverse folding with ProteinMPNN: generate multiple candidate sequences tailored to a single backbone PDB input.
  • Flexible design modes: supports redesign of existing proteins, fixing specific residues, multi-state or negative design, and integration with ligand-aware or solubility-optimized pipelines.
  • Practical controls and outputs: adjustable sampling temperature and sequences-per-target, per-chain targeting, FASTA and designed PDB outputs, and guidance for common errors like CUDA out-of-memory and chain ID mismatches.
  • Use Case: produce a diverse set of expression-optimized sequences for a de novo binder backbone and hand off top candidates to structure prediction and scoring pipelines.

Quick Start

Generate 8 sequences for backbone.pdb with sampling temperature 0.1 and save outputs to the output folder.

Frequently Asked Questions about proteinmpnn

High-intent search queries and answers about installing and using this skill.

FAQPage Schema
How do I design protein sequences for a specific backbone PDB structure?

To design protein sequences for a backbone PDB structure, you can use inverse folding to generate multiple candidate sequences. This process allows adjustable sampling temperature and sequences-per-target, outputting FASTA files and designed PDBs.

What is inverse folding and when do I need it for protein design?

Inverse folding is the process of identifying optimized amino acid sequences that fold into a given 3D backbone structure. You need it for de novo backbone generation, sequence redesigns with fixed-residue constraints, and ligand-aware or solubility optimization scenarios.

Can I fix specific residues during a protein sequence redesign?

Yes, you can fix specific residues during protein sequence redesign. The Skill supports flexible design modes including fixed-residue constraints, per-chain targeting, multi-state design, and negative design within a single PDB input workflow.

Do I need a CUDA-enabled GPU to run ProteinMPNN sequence design?

Yes, you need a CUDA-enabled GPU and Python 3.8 or higher for performant execution. While the inverse folding task is computationally intensive, the Skill provides guidance for common CUDA out-of-memory errors to help manage GPU resources.

How do I handle chain ID mismatches when processing a backbone PDB for sequence generation?

To handle chain ID mismatches during backbone PDB processing, the Skill provides specific troubleshooting guidance. It supports per-chain targeting to ensure the inverse folding model correctly interprets your multi-chain PDB inputs and generates accurate sequences.

What sampling temperature should I use to generate diverse protein sequences?

Sampling temperature controls the diversity of generated protein sequences; lower values like 0.1 produce conservative designs while higher values increase variability. You can configure this alongside the sequences-per-target count to optimize expression and structural stability.