PyOpenMS
技能 已验证 活跃Complete mass spectrometry analysis platform. Use for proteomics workflows feature detection, peptide identification, protein quantification, and complex LC-MS/MS pipelines. Supports extensive file formats and algorithms. Best for proteomics, comprehensive MS data processing. For simple spectral comparison and metabolite ID use matchms.
To enable AI agents to perform complex mass spectrometry data analysis for proteomics and metabolomics research, including feature detection, peptide identification, and quantitative analysis.
功能
- Complete mass spectrometry analysis platform
- Supports proteomics workflows and metabolomics
- Feature detection, peptide identification, protein quantification
- Handles extensive file formats (mzML, idXML, etc.)
- Integrates advanced algorithms and processing pipelines
使用场景
- Processing and analyzing LC-MS/MS data for proteomics studies
- Performing untargeted metabolomics feature detection and identification
- Identifying peptides and proteins from raw spectral data
- Quantitative analysis of protein and metabolite abundance
非目标
- Simple spectral comparison or metabolite ID (use matchms)
- Acting as a generic data analysis tool outside of mass spectrometry
工作流
- Load mass spectrometry data (mzML, mzXML, etc.)
- Process raw spectra (smoothing, filtering, peak picking)
- Detect features or identify peptides/proteins
- Link features across samples for quantification
- Annotate and export results (idXML, featureXML, consensusXML)
安装
npx skills add K-Dense-AI/claude-scientific-skills通过 npx 运行 Vercel skills CLI(skills.sh)— 需要本地安装 Node.js,以及至少一个兼容 skills 的智能体(Claude Code、Cursor、Codex 等)。前提是仓库遵循 agentskills.io 格式。
质量评分
已验证类似扩展
Matchms
99Spectral 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.
PyOpenMS
95Complete mass spectrometry analysis platform. Use for proteomics workflows feature detection, peptide identification, protein quantification, and complex LC-MS/MS pipelines. Supports extensive file formats and algorithms. Best for proteomics, comprehensive MS data processing. For simple spectral comparison and metabolite ID use matchms. Part of the AlterLab Academic Skills suite.
PyDESeq2
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Gtars
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AlterLab Benchling Integration
100Part of the AlterLab Academic Skills suite. Benchling R&D platform integration. Access registry (DNA, proteins), inventory, ELN entries, workflows via API, build Benchling Apps, query Data Warehouse, for lab data management automation.