skills/claude-scientific-skills
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Timothy Kassis
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scientific-packages/pyopenms/SKILL.md
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@@ -7,9 +7,17 @@ description: "Mass spectrometry toolkit (OpenMS Python). Process mzML/mzXML, pea
## Overview
pyOpenMS is an open-source Python library providing comprehensive tools for mass spectrometry data analysis in proteomics and metabolomics research. It offers Python bindings to the OpenMS C++ library, enabling efficient processing of LC-MS/MS data, peptide identification, feature detection, quantification, and integration with common proteomics tools like Comet, Mascot, MSGF+, Percolator, and MSstats.
pyOpenMS is an open-source Python library for mass spectrometry data analysis in proteomics and metabolomics. Process LC-MS/MS data, perform peptide identification, detect and quantify features, and integrate with common proteomics tools (Comet, Mascot, MSGF+, Percolator, MSstats) using Python bindings to the OpenMS C++ library.
Use this skill when working with mass spectrometry data analysis tasks, processing proteomics or metabolomics datasets, or implementing computational workflows for biomolecular identification and quantification.
## When to Use This Skill
This skill should be used when:
- Processing mass spectrometry data (mzML, mzXML files)
- Performing peak picking and feature detection in LC-MS data
- Conducting peptide and protein identification workflows
- Quantifying metabolites or proteins
- Integrating proteomics or metabolomics tools into Python pipelines
- Working with OpenMS tools and file formats
## Core Capabilities