BI
Specialized lipidomics analysis for lipid identification, quantification, and pathway interpretation. Covers LC-MS lipid…
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数据与复现
PY
pyOpenMS
维护者 K-Dense Inc. · 最近更新 2026年4月1日
PyOpenMS provides Python bindings to the OpenMS library for computational mass spectrometry, enabling analysis of proteomics and metabolomics data. Use for handling mass spectrometry file formats, processing spectral data, detecting features, identifying peptides/proteins, and performing quantitative analysis.
原始来源
K-Dense-AI/claude-scientific-skills
https://github.com/K-Dense-AI/claude-scientific-skills/tree/main/scientific-skills/pyopenms
- 维护者
- K-Dense Inc.
- 许可
- 3 clause BSD license
- 最近更新
- 2026年4月1日
技能摘要
来自 SKILL.md 的关键信息
核心说明
- PyOpenMS provides Python bindings to OpenMS 库 ，用于 computational mass spectrometry，enabling analysis of proteomics 、 metabolomics data. Use ，用于 handling mass spectrometry file formats，processing spectral data，detecting features，identifying peptides/proteins，、 performing quantitative analysis。
- exp = ms.MSExperiment() ms.MzMLFile().load("data.mzML"，exp)。
原始文档
SKILL.md 摘录
Installation
Install using uv:
Verify installation:
Core Capabilities
PyOpenMS organizes functionality into these domains:
1. File I/O and Data Formats
Handle mass spectrometry file formats and convert between representations.
Supported formats: mzML, mzXML, TraML, mzTab, FASTA, pepXML, protXML, mzIdentML, featureXML, consensusXML, idXML
Basic file reading:
import pyopenms as ms
适用场景
- 可用于proteomics workflows feature detection，peptide identification，protein quantification，、 complex LC-MS/MS pipelines。
- 可用于LC-MS/MS proteomics 、 metabolomics workflows ，涵盖 file handling (mzML，mzXML，mzTab，FASTA，pepXML，protXML，mzIdentML)，signal processing，feature detection，peptide identification，、 quantitative analysis。
不适用场景
- Do not rely on this catalog entry alone ，用于 installation 或 maintenance details。
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