matchms

Process mass spectrometry spectra with filtering, normalization, and similarity scoring.

557|98|Updated Nov 7, 2025
One-click install
npx skills add https://github.com/jimmc414/Kosmos --skill matchms-jimmc414
Or copy as Structured Prompt for Agent
Please help me install this Agent Skill.
Skill: matchms
Source: https://github.com/jimmc414/Kosmos/tree/main/kosmos-claude-scientific-skills/scientific-skills/matchms
Command: npx skills add https://github.com/jimmc414/Kosmos --skill matchms-jimmc414

SYSTEM DOCUMENTATION & REQUIREMENTS

💡 This Skill requires matchms, and includes references (resource) components.

What problem does it solve?

This Skill simplifies and standardizes the complex process of analyzing mass spectrometry data, enabling faster and more reliable identification and comparison of chemical compounds.

Core Features & Use Cases

  • Data Import/Export: Load and save spectra from various formats (mzML, MGF, MSP, JSON).
  • Spectral Processing: Filter, normalize, and clean spectral data for consistent analysis.
  • Similarity Scoring: Compare spectra using multiple algorithms (Cosine, Modified Cosine, Fingerprint) for compound identification.
  • Use Case: Researchers can quickly process raw mass spectrometry data, compare unknown samples against spectral libraries, and identify compounds with high confidence, accelerating drug discovery or metabolomics research.

Quick Start

Use the matchms skill to load spectra from 'my_spectra.mgf' and calculate cosine similarity against 'library.mgf'.

Frequently Asked Questions about matchms

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

FAQPage Schema
How do I calculate mass spectrometry similarity scores for compound identification?

To calculate mass spectrometry similarity scores for compound identification, you can use this Skill to compare unknown samples against spectral libraries using Cosine, Modified Cosine, or Fingerprint algorithms after importing and cleaning your data.

What mass spectrometry file formats are supported for spectral data import and export?

The supported mass spectrometry file formats for spectral data import and export include mzML, MGF, MSP, and JSON, allowing you to easily load raw spectra and save processed data for downstream analysis.

How do I normalize and filter raw mass spectrometry data for metabolomics research?

To normalize and filter raw mass spectrometry data for metabolomics research, apply the Skill's standardized spectral processing functions to clean and normalize your imported data, ensuring consistent analysis and reliable quality control.

Can I use matchms for library matching in proteomics research?

Yes, you can use matchms for library matching in proteomics research, as it facilitates compound identification and data quality control by calculating similarity scores between your experimental spectra and reference libraries.

What is the best way to compare unknown mass spectrometry samples against a spectral library?

The best way to compare unknown mass spectrometry samples against a spectral library is to import your data, apply standardized normalization techniques, and calculate similarity scores using multiple algorithms like Cosine or Fingerprint matching.

Do I need the matchms library to process mass spectrometry data?

Yes, you need the matchms library installed as a dependency, because the Skill relies on it to perform the underlying spectral data manipulation, filtering, and similarity scoring operations required for your analysis.