lc-ms 开源项目推荐（84 个）

ElucidataInc /ElMaven

LC-MS data processing tool for large-scale metabolomics experiments.

xieguigang /mzkit

用于处理 NMR、MALDI MSI、MALDI 单细胞、拉曼光谱、LC-MS 和 GC-MS 原始数据、化学信息学数据分析及数据可视化的数据工具包。

AutoFlowResearch /SmartPeak

Fast and Accurate CE-, GC- and LC-MS(/MS) Data Processing

chhh /batmass

Mass spectrometry data visualization

rformassspectrometry /metaRbolomics-book

The MetaRbolomics book. A review of R packages in BioC, CRAN, gitlab and github.

MolecularCartography /Optimus

Workflow for LC-MS feature analysis and spatial mapping

computational-metabolomics /beamspy

BEAMSpy - Birmingham mEtabolite Annotation for Mass Spectrometry (Python Package)

computational-metabolomics /msPurity

A Bioconductor R package - Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics

HolobiomicsLab /asb-skill-collections

由 AgenticScienceBuilder 生成的、面向科学 AI 智能体的精选且基于证据的技能与软件工具集合

chhh /MSFTBX

MS File ToolBox - tools for parsing some mass-spectrometry related file formats (mzML, mzXML, pep.xml, prot.xml, etc.)

ajgiuliani /MassJ.jl

A mass spectrometry package for Julia

computational-metabolomics /structToolbox

R/Bioconductor package - STRUCT (STatistics in R Using Class Templates) Toolbox: An extensive set of data (pre-)processing and analysis methods and tools for metabolomics and other omics,

workflow4metabolomics /workflow4metabolomics

Workflow4Metabolomics meta repository

stanstrup /QC4Metabolomics

代谢组学研究的QC系统

jorainer /xcmsTutorials

介绍使用 xcms Bioconductor 包进行 LC-MS(/MS) 数据预处理和分析的教程与工作坊

zmzhang /pymass

Package for analyzing MS with Python

computational-metabolomics /metabolomicsWorkbenchR

R/Bioconductor Package - Interface to the Metabolomics Workbench RESTful API

novak-jiri /cyclobranch

A tool for mass spectrometry data analysis.

thepanlab /Sipros4

Sipros 4 for stable isotopic mass spectrum metaproteomics proteomics

LizzyParkerPannell /Untargeted_metabolomics_workflow

使用开源工具进行非靶向代谢组学数据处理与分析的协作工作流。https://doi.org/10.3390/metabo13040463