computational-metabolomics/dmatools-galaxy

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computational-metabolomics/dmatools-galaxy

computational-metabolomics

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General Galaxy tools developed for the DMA project

dimspy

Python package for processing direct-infusion mass spectrometry-based metabolomics and lipidomics data

msPurity

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

beamspy

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

structToolbox

R/Bioconductor package - STRUCT (STatistics in R Using Class Templates) Toolbox

msp2db

Convert MSP files into a database

metabolomicsWorkbenchR

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

struct

R/Bioconductor package - STRUCT: STatistics in R Using Class Templates

metaboblend

Python package for de novo structural elucidation of small molecules in mass spectrometry-based Metabolomics

dimspy-galaxy

Galaxy tools for Python package DIMSpy: data processing of Direct-Infusion Mass Spectrometry-based metabolomics and lipidomics data

django-mogi

Metabolomics Organisation with Galaxy and ISA

django-mbrowse

⚠️ 🚫 [DEPRECATED] see README for more details.

metfrag-galaxy

Metfrag for Galaxy

mspurity-galaxy

Galaxy tools for msPurity package: includes precursor ion purity calculations and spectral matching

sirius-csifingerid-galaxy

cfm-galaxy

Galaxy tool for applying Competitive Fragmentation Modeling (CFM)

pmp

R/Bioconductor package - Peak Matrix Processing and signal batch correction for metabolomics data sets

beamspy-galaxy

Galaxy tools for BEAMSpy: Birmingham mEtabolite Annotation for Mass SpectroMetry (Python Package)

xlsxbuilder

sbcms

⚠️ 🚫 [DEPRECATED] see README for more details.

django-galaxy

Galaxy interfacing with Django

django-gfiles

Simple file management in Django

msp2db-galaxy

Galaxy tool for msp2db

structReport

R/Bioconductor package - STRUCT report

mogi-docs

⚠️ 🚫 [DEPRECATED] see README for more details.