pyopenms

Process LC-MS/MS proteomics and metabolomics data through a Python interface to OpenMS.

1|Updated Jan 14, 2026
One-click install
npx skills add https://github.com/Sologa/codex-pipeline --skill pyopenms-sologa
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: pyopenms
Source: https://github.com/Sologa/codex-pipeline/tree/main/.codex/skills/pyopenms
Command: npx skills add https://github.com/Sologa/codex-pipeline --skill pyopenms-sologa

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill includes references (resource) components.

What problem does it solve?

This Skill simplifies complex mass spectrometry data analysis, enabling researchers to efficiently process proteomics and metabolomics data without deep programming knowledge.

Core Features & Use Cases

  • Data Processing: Handle various mass spectrometry file formats (mzML, mzXML), perform signal processing (smoothing, filtering), and detect features.
  • Identification & Quantification: Facilitate peptide and protein identification, and support quantitative analysis.
  • Use Case: A proteomics researcher can use this Skill to load raw LC-MS/MS data, identify peptides and proteins, and quantify their abundance across different samples, all through a guided, conversational interface.

Quick Start

Use the pyopenms skill to load the mzML file 'sample.mzML' and print the number of spectra.

Frequently Asked Questions about pyopenms

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

FAQPage Schema
How do I process raw LC-MS/MS data for peptide and protein identification?

Proteomics data analysis involves loading mzML files, applying signal processing like smoothing and filtering, detecting features, and identifying peptides to quantify protein abundance across different samples.

What is the best way to quantify protein abundance across multiple mass spectrometry samples?

Quantifying protein abundance across mass spectrometry samples is done by loading the LC-MS/MS data, identifying the peptides, and then running quantitative analysis algorithms to compare their abundance across the different samples.

Can I use Python for metabolomics signal processing and feature detection?

Yes, you can use Python for metabolomics signal processing and feature detection by accessing the OpenMS library interface, which enables smoothing, filtering, and feature detection directly within your data analysis workflow.

Does this approach support reading standard mass spectrometry file formats like mzXML?

Yes, this approach supports reading standard mass spectrometry file formats like mzXML and mzML, allowing you to handle file I/O and load raw LC-MS/MS data for subsequent computational analysis.

How do I get started analyzing an mzML file without deep programming knowledge?

To start analyzing an mzML file without deep programming knowledge, use the conversational interface to load the file, print the number of spectra, and run guided identification and quantification algorithms.