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Matchms

Skill Verifiziert Aktiv

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.

Zweck

To enable AI agents to perform spectral similarity calculations and compound identification for metabolomics research, facilitating the analysis of mass spectrometry data.

Funktionen

  • Import and export mass spectrometry data (MGF, mzML, MSP, JSON, Pickle)
  • Filter and process spectral data (normalize intensities, select peaks, remove noise)
  • Calculate spectral similarity scores (cosine, modified cosine)
  • Identify unknown compounds from spectral libraries
  • Build reproducible analysis pipelines

Anwendungsfälle

  • Comparing mass spectra to identify unknown compounds.
  • Computing similarity scores between spectra to find related metabolites.
  • Building automated workflows for spectral library searching.
  • Standardizing and cleaning mass spectrometry data for downstream analysis.

Nicht-Ziele

  • Full LC-MS/MS proteomics pipelines (suggests using pyopenms).
  • Handling raw instrument data beyond spectral peak lists (unless imported via mzML/mzXML).
  • Providing a graphical user interface for analysis.

Installation

npx skills add K-Dense-AI/claude-scientific-skills

Führt das Vercel skills CLI (skills.sh) via npx aus — benötigt Node.js lokal und mindestens einen installierten skills-kompatiblen Agent (Claude Code, Cursor, Codex, …). Setzt voraus, dass das Repo dem agentskills.io-Format folgt.

Qualitätspunktzahl

Verifiziert
99 /100
Analysiert 1 day ago

Vertrauenssignale

Letzter Commit3 days ago
Sterne21k
LizenzApache-2.0
Status
Quellcode ansehen

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