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matchms

Spectral similarity and compound identification for metabolomics. Use for comparing mass spectra, computing similarity scores (cosine, modified cosine), and identifying unknown compounds from spectral libraries. Best for metabolite identification, spectral matching, library searching. For full LC-MS/MS proteomics pipelines use pyopenms.

Packaged view

This page reorganizes the original catalog entry around fit, installability, and workflow context first. The original raw source lives below.

Stars
15,476
Hot score
99
Updated
March 20, 2026
Overall rating
A8.6
Composite score
7.3
Best-practice grade
C68.3

Install command

npx @skill-hub/cli install k-dense-ai-claude-scientific-skills-matchms

Repository

K-Dense-AI/claude-scientific-skills

Skill path: scientific-skills/matchms

Spectral similarity and compound identification for metabolomics. Use for comparing mass spectra, computing similarity scores (cosine, modified cosine), and identifying unknown compounds from spectral libraries. Best for metabolite identification, spectral matching, library searching. For full LC-MS/MS proteomics pipelines use pyopenms.

Open repository

Best for

Primary workflow: Ship Full Stack.

Technical facets: Full Stack.

Target audience: Development teams looking for install-ready agent workflows..

License: Unknown.

Original source

Catalog source: SkillHub Club.

Repository owner: K-Dense-AI.

This is still a mirrored public skill entry. Review the repository before installing into production workflows.

What it helps with

  • Install matchms into Claude Code, Codex CLI, Gemini CLI, or OpenCode workflows
  • Review https://github.com/K-Dense-AI/claude-scientific-skills before adding matchms to shared team environments
  • Use matchms for development workflows

Works across

Claude CodeCodex CLIGemini CLIOpenCode

Favorites: 0.

Sub-skills: 0.

Aggregator: No.

matchms | SkillHub