matchms

matchms is a skill for Claude Code from agentlas-ai/agentlas-desktop. It costs 64 tokens per session (2,686 once invoked), scanned A, a copy of matchms, Apache-2.0.

A Python library for working with tandem mass spectra, measurements of how molecules break into charged fragments. It imports, cleans, compares, and searches spectra and can build similarity results and molecular-similarity networks.

In plain words
What is it for?
Use it for MS/MS library searches, metadata cleanup, peak filtering, spectrum scoring, score matrices, spectral networks, and common mass-spectrometry file formats.
Why use it?
It standardizes messy spectrum metadata and peak data so samples can be compared with reference libraries. Similarity scores are evidence for a possible match, not confirmed compound identification.

Skill for Claude Code

Written for Claude Code: allowed-tools in frontmatter.

Good fit Use it for MS/MS library searches, metadata cleanup, peak filtering, spectrum scoring, score matrices, spectral networks, and common mass-spectrometry file formats.

Compare 6 skills from other repositories ↓
Install with agentmods
npx agentmods add skills/agentlas-ai/agentlas-desktop/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 agentlas-ai/agentlas-desktop --skill matchms
Clone the repo
git clone --depth 1 https://github.com/agentlas-ai/agentlas-desktop

Made for: Claude Code.

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/agentlas-ai/agentlas-desktop/matchms/github.svg)](https://agentmods.dev/skills/agentlas-ai/agentlas-desktop/matchms)
Your own site
<a href="https://agentmods.dev/skills/agentlas-ai/agentlas-desktop/matchms"><img src="https://agentmods.dev/badge/skills/agentlas-ai/agentlas-desktop/matchms/github.svg" alt="Measured on agentmods" height="20"></a>

Or the 80×15 button, for a site that already has a row of RSS and ATOM ones. Only the verdict fits; the numbers stay here.

agentmods 80×15 button for matchms

Your own site · 80×15
<a href="https://agentmods.dev/skills/agentlas-ai/agentlas-desktop/matchms"><img src="https://agentmods.dev/badge/skills/agentlas-ai/agentlas-desktop/matchms.svg" alt="Reviewed on agentmods" width="80" height="20"></a>
Per session 64 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 2,686 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 100% 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 $0.00064 $0.02686
Opus 5.5 $0.00026 $0.01074
Sonnet 5.5 $0.00013 $0.00537
Haiku 4.5 $0.00006 $0.00269

Measured 1mo ago against content hash 059f2bcca9e8, method: parsed. Prices are Anthropic first-party input rates as of 2026-10-07, 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 1mo ago.

The scan reads SKILL.md. This mod also ships 1 executable file (scripts/library_search.py), listed below but not scanned — reading those needs a real analyzer, not pattern matching.

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

100% identical to matchms — 50 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.

plugins/agentlas-science-skills/skills/matchms/SKILL.md · 293 lines

How it starts

The opening of the file, as written. The whole thing — 293 lines — stays where its author put it; the contents beside it link to each section on GitHub.

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, and corrects several breaking API changes that older tutorials do not reflect.

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, JSON, mzSpecLib, and metabolomics-USI workflows

Do not use matchms as a replacement for:

  • LC-MS feature detection, chromatographic alignment, peptide identification, or protein quantification — use pyopenms
  • Vendor raw-file conversion — convert to mzML/mzXML first
  • A validated compound-identification protocol — similarity is evidence, not proof of identity

Install the Verified Release

Create or activate an environment, then install the release used by this skill:

uv pip install "matchms==0.33.1"

Verify the runtime:

uv run python -c "import matchms; print(matchms.__version__)"

Matchms 0.33.1 supports Python 3.10-3.14 and installs RDKit as a regular dependency. The old matchms[chemistry] extra is not part of the current package metadata.

Operating Workflow

  1. Inspect the inputs. Record format, spectrum count, MS level, precursor coverage, ion mode, peak counts, and identifier fields.
  2. Load with metadata harmonization enabled unless preserving source keys is a deliberate requirement.
  3. Apply the same peak-processing steps to query and reference spectra. Keep metadata enrichment separate when reference annotations are richer.
  4. Drop invalid spectra explicitly. Many require_* filters return None.
  5. Choose the score from the scientific question, not from convenience. Modified and neutral-loss scores require valid precursor_mz.
  6. Estimate len(references) * len(queries) before scoring. A sparse result container does not automatically avoid computing every requested pair.
  7. Report score settings and evidence. Include tolerance, preprocessing, score name, number of matched peaks when available, and candidate metadata.
  8. Validate top hits visually and chemically. Use mirror plots, precursor agreement, ion/adduct compatibility, and orthogonal evidence.

Read the full file on GitHub · 293 lines

Files

What ships with it

7 files beside SKILL.md in the same directory: the scripts, references and assets a skill reads on demand. Not counted in the per-session cost; read them before you install if any of them is executable.

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. 1mo ago First seen · 293 lines · 64 tokens per session scan A 059f2bcca9e8

Subscribe to this mod's changes

matchms is a skill published in the GitHub repository agentlas-ai/agentlas-desktop (6 stars, last pushed yesterday), licensed Apache-2.0. It adds 64 tokens to every session and 2,686 once invoked, about $0.0003 per session on Opus 5.5. A static security scan graded it A with 0 findings. It is 100% identical to matchms, differing in 50 lines, and is treated as a copy.

Related

Other skills, from other repositories

tbtools

Use when the user asks about TBtools, TBtools-II, TBtools RPC API, TBtools CLI, or bioinformatics operations available through TBtools such as sequence manipulation, BLAST, GFF/GTF/GXF processing, expression tables, heatmaps, trees, MCScanX, DIAMOND, HMMER, MUSCLE, and IQ-TREE.

xuzhougeng/wispterm · 77 tokens

electron-expert

Expert in Electron framework, desktop app development, IPC, and cross-platform packaging. Use when the user mentions desktop, Node.js, cross platform, Windows, macOS, or Linux, or when the task involves Electron Architecture, Process Types, IPC Communication, or App Lifecycle.

personamanagmentlayer/pcl · 59 tokens

research-orchestrator

Becomes a principal research scientist who orchestrates deep, multi-source research by coordinating evidence gathering, grading source quality, and synthesizing findings with explicit confidence levels. Use when the user needs a comprehensive research report on a complex topic, evidence-based analysis with source…

FerroxLabs/wayland · 109 tokens

autoresearch

Run an auto research / autoresearch loop for measurable improvements. Use when optimizing a skill, agent, prompt, code path, benchmark, or other target with a mechanical metric: baseline, mutate one thing, verify, keep or discard, log, chart progress, and optionally save improved custom skills or agents through Open…

joe-broadhead/open-cowork · 0 tokens

architecture-diagram

How to draw and maintain the architecture diagram Ensemblr keeps for a workspace — ensemblrgetarchitecturediagram to fetch the stored one (it answers with null when nobody has drawn this workspace yet), the IR shape, how to derive it from the codebase, and ensemblrupdatearchitecturediagram to store it. Read this when…

ensemblr-hq/ensemblr · 94 tokens

scaffold-lean-library

Scaffold a Lean 4 library with Mathlib or PFR, Lake tests, and CI. Use for "new Lean project"; to edit Lean, use write-lean-code.

cboone/agent-harness-plugins · 43 tokens