computational-metabolomics Goto Github PK

amimspy

Python package for processing acoustic mist ionization mass spectrometry-based metabolomics and lipidomics data

beamspy

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

beamspy-galaxy

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

bioconda-recipes

Conda recipes for the bioconda channel.

cfm-galaxy

Galaxy tool for applying Competitive Fragmentation Modeling (CFM)

cliquems-galaxy

conda-computational-metabolomics

A collection of conda recipes and build workfow for the conda computational-metabolomics channel.

deconrank

Package to deconvolute, rank & score precursor ions prior to fragmentation

dimspy

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

dimspy-galaxy

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

django-galaxy

Galaxy interfacing with Django

django-gfiles

Simple file management in Django

django-mbrowse

⚠️ 🚫 [DEPRECATED] see README for more details.

django-misa

⚠️ 🚫 [DEPRECATED] see README for more details.

django-mogi

Metabolomics Organisation with Galaxy and ISA

django-mogisite

⚠️ 🚫 [DEPRECATED] see README for more details.

dmadb-docs

dmatools-galaxy

General Galaxy tools developed for the DMA project

galaxy

Data intensive science for everyone.

metaboblend

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

metabolabpy

NMR data processing

metabolomicsworkbenchr

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

metexpy

MetExPy: Python package to search, extract and rename metabolite and lipid names using regular expression

metfrag-galaxy

Metfrag for Galaxy

mogi-docs

⚠️ 🚫 [DEPRECATED] see README for more details.

msnpy

Python package for processing and annotation of MSn fragmentation data

msnpy-galaxy

Galaxy tools for Python package MSnPy: data-processing and annotating MSn-based metabolomics and lipidomics data"

msp2db

Convert MSP files into a database

msp2db-galaxy

Galaxy tool for msp2db

mspurity

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