infotechsoft/metabolomics repository overview

⁠docker-metabolomics

Mass Spectrometry and Metabolomics Tools in Docker

⁠Usage

Start a container with the default R interpeter

docker run -it --rm -v "${PWD}"/data -w /data infotechsoft/metabolomics

Start a container with a BASH shell

docker run -it --rm -v "${PWD}"/data -w /data infotechsoft/metabolomics /bin/bash

⁠Build Details

• r-base⁠: 4.0.2
• Bioconductor Packages:
  • XCMS⁠ LC/MS and GC/MS Data Analysis
  • CAMERA⁠ Collection of annotation related methods for mass spectrometry data
  • Warpgroup⁠ processing chromatography-mass spectrometry data

⁠License

View R-project license⁠ information for the software contained in this image.

⁠Maintainer