matchms

matchms is a skill for Claude Code, Codex from AndyZhuang/Opentest. It costs 62 tokens per session (1,743 once invoked), scanned A, a copy of matchms, MIT.

A Python library for processing and comparing mass spectra, the signal patterns produced when a mass spectrometer measures a sample.

In plain words
What is it for?
Use it to import and export common spectrum files, clean peaks and metadata, calculate similarity scores, search spectral libraries, and identify compounds.
Why use it?
It standardizes spectra and calculates comparisons, making it easier to match an unknown sample against reference libraries.

Skill for Claude CodeCodex

Written for no agent in particular: nothing here depends on one.

Good fit Use it to import and export common spectrum files, clean peaks and metadata, calculate similarity scores, search spectral libraries, and identify compounds.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/andyzhuang/opentest/matchms
Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

Any agent
npx skills add AndyZhuang/Opentest --skill matchms
Clone the repo
git clone --depth 1 https://github.com/AndyZhuang/Opentest

Made for: Claude Code, Codex.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for matchms

README.md
[![agentmods](https://agentmods.dev/badge/skills/andyzhuang/opentest/matchms.svg)](https://agentmods.dev/skills/andyzhuang/opentest/matchms)
Your own site
<a href="https://agentmods.dev/skills/andyzhuang/opentest/matchms"><img src="https://agentmods.dev/badge/skills/andyzhuang/opentest/matchms.svg" alt="Measured on agentmods" height="20"></a>
Per session 62 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 1,743 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. A grade says what 26 rules found in the file — not that it is safe.
Origin 83% copy Near-identical to another mod in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5.1 $0.00062 $0.01743
Opus 5 $0.00031 $0.00872
Sonnet 5 $0.00012 $0.00349
Haiku 4.5 $0.00006 $0.00174

Measured 8d ago against content hash 21eee47ca41d, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-08, from the pricing page.

Security

Grade A, and why

matchms scanned grade A with 0 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 8d ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

Origin

This is a copy

83% identical to matchms — 6 lines differ, which has more behind it and is treated as the original. This page carries a canonical link to it rather than competing with it.

skills/labclaw/bio/matchms/SKILL.md · 203 lines

How it starts

The opening of the file, as written. The whole thing — 203 lines — stays where its author put it; the contents beside it link to each section on GitHub.

Matchms

Overview

Matchms is an open-source Python library for mass spectrometry data processing and analysis. Import spectra from various formats, standardize metadata, filter peaks, calculate spectral similarities, and build reproducible analytical workflows.

Core Capabilities

1. Importing and Exporting Mass Spectrometry Data

Load spectra from multiple file formats and export processed data:

from matchms.importing import load_from_mgf, load_from_mzml, load_from_msp, load_from_json
from matchms.exporting import save_as_mgf, save_as_msp, save_as_json

# Import spectra
spectra = list(load_from_mgf("spectra.mgf"))
spectra = list(load_from_mzml("data.mzML"))
spectra = list(load_from_msp("library.msp"))

# Export processed spectra
save_as_mgf(spectra, "output.mgf")
save_as_json(spectra, "output.json")

Supported formats:

  • mzML and mzXML (raw mass spectrometry formats)
  • MGF (Mascot Generic Format)
  • MSP (spectral library format)
  • JSON (GNPS-compatible)
  • metabolomics-USI references
  • Pickle (Python serialization)

For detailed importing/exporting documentation, consult references/importing_exporting.md.

2. Spectrum Filtering and Processing

Apply comprehensive filters to standardize metadata and refine peak data:

from matchms.filtering import default_filters, normalize_intensities
from matchms.filtering import select_by_relative_intensity, require_minimum_number_of_peaks

# Apply default metadata harmonization filters
spectrum = default_filters(spectrum)

# Normalize peak intensities
spectrum = normalize_intensities(spectrum)

# Filter peaks by relative intensity
spectrum = select_by_relative_intensity(spectrum, intensity_from=0.01, intensity_to=1.0)

# Require minimum peaks
spectrum = require_minimum_number_of_peaks(spectrum, n_required=5)

Filter categories:

  • Metadata processing: Harmonize compound names, derive chemical structures, standardize adducts, correct charges
  • Peak filtering: Normalize intensities, select by m/z or intensity, remove precursor peaks
  • Quality control: Require minimum peaks, validate precursor m/z, ensure metadata completeness
  • Chemical annotation: Add fingerprints, derive InChI/SMILES, repair structural mismatches

Read the full file on GitHub · 203 lines

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 8d ago First seen · 203 lines · 62 tokens per session scan A 21eee47ca41d

Subscribe to this mod's changes

matchms is a skill published in the GitHub repository AndyZhuang/Opentest (22 stars, last pushed 5mo ago), licensed MIT. It adds 62 tokens to every session and 1,743 once invoked, about $0.0003 per session on Opus 5. A static security scan graded it A with 0 findings. It is 83% identical to matchms, differing in 6 lines, and is treated as a copy.

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