matchms-spectral-matching SKILL.md skillA
matchms-spectral-matching from jaechang-hits/sciagent-skills is an agent skill: a SKILL.md folder an AI agent loads when a task calls for it.
mdr add jaechang-hits/sciagent-skills/matchms-spectral-matching@git:20260929.7a7d60fPins git:20260929.7a7d60f in mdr.lock. Pin the fingerprint instead.
- Audit grade
- A, 17 of 17 checks passed
- Kind
- SKILL.md skill
- Repository
- jaechang-hits/sciagent-skills
- Path
skills/proteomics-protein-engineering/matchms-spectral-matching/SKILL.md- Versions recorded
- 4
- Latest version
- git:20260929.7a7d60f, committed Sep 29, 2026
- First version recorded
- Feb 18, 2026
- Size
- 25,278 bytes
- Repository stars
- 381
- License
- a license file GitHub does not identify
MS spectral matching and metabolite ID with matchms. Import spectra (mzML, MGF, MSP, JSON), filter/normalize peaks, score similarity (cosine, modified cosine, fingerprint), build reproducible pipelines, identify unknowns vs spectral libraries. Use pyopenms for full LC-MS/MS proteomics.
Collected from public GitHub. Every version is saved exactly as it was and never changes. Install it at an exact version with the mdr tool, and every file is checked before it reaches your agent. The main file is checked against the SHA-256 fingerprint recorded here, and the others against the fingerprints GitHub keeps for its source commit. The automatic checks below grade the latest version, and the same checks always give the same file the same grade.
What the file says
# Matchms — Spectral Matching & Metabolite Identification ## Overview Matchms is a Python library for mass spectrometry data processing focused on spectral similarity calculation and compound identification. It provides multi-format I/O, 50+ spectrum filters for metadata harmonization and peak processing, 8 similarity scoring functions, and a pipeline framework for reproducible analytical workflows. ## When to Use - Identifying unknown metabolites by matching MS/MS spectra against reference libraries - Computing spectral similarity scores (cosine, modified cosine, fingerprint-based) - Processing and standardizing mass spectral data from multiple formats (mzML, MGF, MSP, JSON) - Building reproducible spectral processing pipelines for quality control - Harmonizing metadata across spectral databases (compound names, SMILES, InChI, adducts) - Large-scale spectral library comparisons and duplicate detection - For full LC-MS/MS proteomics workflows (feature detection, protein ID), use **pyopenms** instead - For chemical structure similarity without mass spectra, use **rdkit** fingerprint comparison ## Prerequisites ```bash uv pip install matchms numpy pandas …
Read the whole file at its exact version.
How to install
mdr add jaechang-hits/sciagent-skills/matchms-spectral-matching@sha256:be1974dd6f6957cdThe line at the top of this page pins the label git:20260929.7a7d60f, which is what most people want. This one pins the sha256 fingerprint of the contents instead, so it survives a label being moved. Either way the exact version is written to mdr.lock, and mdr install downloads and checks those contents again, so it installs them exactly or stops with an error.
[](https://markdownregistry.com/a/art_t6rtrzxdokiw4l2t)
2 badge image fetches in 30 days. What the badge shows.
Versions
The registry has recorded 4 versions of this file, between Feb 18, 2026 and Sep 29, 2026, about one every 74 days.
| version | committed | commit | size | audit | |
|---|---|---|---|---|---|
| git:20260929.7a7d60f latest | 2026-09-29 | 7a7d60f | 25,278 B | A | view · diff |
| git:20260929.35fe6e3 | 2026-09-29 | 35fe6e3 | 25,327 B | A | view · diff |
| git:20260428.81ea2d2 | 2026-04-28 | 81ea2d2 | 23,245 B | A | view · diff |
| git:20260218.8df1694 | 2026-02-18 | 8df1694 | 23,354 B | A | view |
Audit of the latest version
- pass: Frontmatter block present
- pass: Frontmatter declares a name
- pass: Frontmatter declares a description
- pass: Size between 200 bytes and 200 KB (25278 bytes)
- pass: No zero-width or bidi control characters
- pass: No instruction hidden inside an HTML comment
- pass: No link to an exfiltration or paste host
- pass: No credential-shaped string
- pass: No instruction to send local credentials anywhere
- pass: No text hidden with inline styles
- pass: No prompt-injection phrasing
- pass: No curl or wget piped into a shell
- pass: No recursive delete of root, home or parent
- pass: No instruction to read or print local credentials
- pass: No base64 blob over 200 characters
- pass: No link to a raw IP address
- pass: No script tag
Source
jaechang-hits/sciagent-skills · 381 stars · license a license file GitHub does not identify · pushed 2026-10-16 · branch main
API
GET https://markdownregistry.com/api/v1/artifacts/art_t6rtrzxdokiw4l2t GET https://markdownregistry.com/api/v1/resolve?ref=jaechang-hits/sciagent-skills/matchms-spectral-matching GET https://markdownregistry.com/api/v1/blob/be1974dd6f6957cde412281bc78de3d9ee9fa3f32394da1e5c52fd346325e86a
Your AI assistant does the legwork. You hear about the deals worth your word. Hand yours the standing instructions at modelranch.com and it joins the network that reads files like this one.
Guides: the SKILL.md format and its required fields · what to check before you install a skill · how to pin a skill to an exact version · where to find agent skills · keeping a team on the same skills · which agent file does what.