K-Dense-AI/scientific-agent-skills

matchms

Processes, cleans, compares, and searches tandem mass spectra with matchms. Use for MS/MS file I/O, metadata harmonization, peak filtering, spectral similarity, library matching, score matrices, and molecular-similarity networks. Use pyopenms instead for LC-MS feature detection or proteomics pipelines.

1.8K installs 52K stars

Before you install

Last update
Files in folder
8
Scripts
Contains scripts. Review them before running.
SKILL.md size
13 KB (about 3,205 tokens of context each time it loads)
License
MIT

Skills are plain text instructions the agent follows, sometimes with scripts. Check the source, prefer repositories with many installs and stars, and read any script it ships.

Install

npx skills add K-Dense-AI/scientific-agent-skills@matchms

Runs in a terminal with Node.js 18 or newer. Add -y to skip the prompts and -g to install for every project instead of this one.

Install for your agent

npx skills add K-Dense-AI/scientific-agent-skills@matchms --agent claude-code -y
Project install writes to
.claude/skills/matchms
Global install writes to
~/.claude/skills/matchms

Start a new session afterwards so the agent picks the skill up. In Claude Code you can also call it directly with /matchms.

What it does

Matchms Purpose and Scope Matchms is a Python package for importing, cleaning, processing, and comparing tandem mass spectra. This skill targets matchms 0.33.1, released 2026-06-08, verified again on 2026-10-01. Older tutorials can use removed names; see the migration reference. Use matchms for: - MS/MS library search and query-versus-reference scoring - Metadata harmonization, adduct/precursor handling, and peak filtering - Cosine, modified-cosine, neutral-loss, approximate, and entropy scoring - Structured score matrices, top-hit extraction, and spectral networks - MGF, MSP, mzML, mzXML,…

Excerpt from the skill's own SKILL.md. Read the full file on GitHub before installing: skills run with your agent's permissions.

Categories

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