Provide a Python interface to OpenMS for mass spectrometry data analysis.
npx skills add https://github.com/jackspace/ClaudeSkillz --skill pyopenms
Please help me install this Agent Skill. Skill: pyopenms Source: https://github.com/jackspace/ClaudeSkillz/tree/main/skills/scientific-pkg-pyopenms Command: npx skills add https://github.com/jackspace/ClaudeSkillz --skill pyopenms
PyOpenMS exposes the OpenMS library to Python for MS data processing, feature detection, and identification workflows.
Load an mzML file and inspect the first spectrum.
High-intent search queries and answers about installing and using this skill.
PyOpenMS provides a Python interface to OpenMS for loading MS data in formats like mzML and mzXML, then performing signal processing, feature detection, and peptide identification. You can inspect spectra, apply centroiding and filtering, and export results to Pandas for downstream analysis.
Yes. PyOpenMS supports end-to-end LC-MS/MS proteomics workflows including file I/O for mzML, FASTA, pepXML, and mzIdentML formats, peptide and protein identification, feature detection, and quantitative analysis integrated with NumPy, Pandas, and Scikit-learn.
PyOpenMS handles mzML, mzXML, mzTab, FASTA, pepXML, protXML, and mzIdentML formats. This coverage spans raw spectral data, identified peptides and proteins, and quantitative results across proteomics and metabolomics workflows.
PyOpenMS provides feature detection and peptide identification modules within standard data structures like FeatureMap and PeptideIdentification. Load mzML files, apply signal processing, run identification against protein databases, and export quantitative results.
Yes. PyOpenMS integrates directly with Pandas, NumPy, and Scikit-learn, allowing you to export MS data and analysis results to familiar formats and apply statistical or machine-learning workflows downstream.
PyOpenMS abstracts low-level C++ OpenMS functionality into Python-native data structures and parameter management, enabling faster prototyping and integration with the Python ecosystem without manually parsing binary formats or compiling C++ code.
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