Computational Metabolomics Research Group

All

42 repositories

MetMashR
Public
R
•0•2•0•0•Updated Nov 5, 2024Nov 5, 2024
mspurity-galaxy
Public
Galaxy tools for msPurity package: includes precursor ion purity calculations and spectral matching
metabolomics mass-spectrometry fragmentation dims precursor-ion-purity galaxy lc-ms
R
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GNU General Public License v3.0
•6•3•7•0•Updated Sep 13, 2024Sep 13, 2024
sirius-csifingerid-galaxy
Public
Python
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GNU General Public License v3.0
•4•3•0•1•Updated Jul 31, 2024Jul 31, 2024
metabolomicsWorkbenchR
Public
R/Bioconductor Package - Interface to the Metabolomics Workbench RESTful API
metabolomics r-package lc-ms nmr-spectroscopy bioconductor-package metabolomics-data
R
•1•9•1•0•Updated Jul 3, 2024Jul 3, 2024
structToolbox
Public
R/Bioconductor package - STRUCT (STatistics in R Using Class Templates) Toolbox
machine-learning statistics metabolomics r-package lc-ms multivariate-analysis bioconductor-package dims univariate
R
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GNU General Public License v3.0
•4•10•10•0•Updated Jul 1, 2024Jul 1, 2024
msPurity
Public
R-package - Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics
metabolomics mass-spectrometry lc-ms fragmentation bioconductor-package dims lc-msms precursor-ion-purity
HTML
•
GNU General Public License v3.0
•4•15•9•0•Updated May 10, 2024May 10, 2024
dmadb-docs
Public
0•0•0•0•Updated May 9, 2024May 9, 2024
django-mbrowse
Public archive
⚠️ 🚫 [DEPRECATED] see README for more details.
Python
•
GNU General Public License v3.0
•0•3•5•0•Updated May 9, 2024May 9, 2024
django-misa
Public archive
⚠️ 🚫 [DEPRECATED] see README for more details.
Python
•
GNU General Public License v3.0
•0•0•1•0•Updated May 9, 2024May 9, 2024
mogi-docs
Public archive
⚠️ 🚫 [DEPRECATED] see README for more details.
HTML
•
GNU General Public License v3.0
•1•1•0•0•Updated May 9, 2024May 9, 2024
django-mogisite
Public archive
⚠️ 🚫 [DEPRECATED] see README for more details.
CSS
•
GNU General Public License v3.0
•0•0•0•0•Updated May 9, 2024May 9, 2024
struct
Public
R/Bioconductor package - STRUCT: STatistics in R Using Class Templates
machine-learning statistics metabolomics r-package lc-ms multivariate-analysis bioconductor-package dims univariate
R
•
GNU General Public License v3.0
•0•5•9•0•Updated Mar 21, 2024Mar 21, 2024
pmp
Public
R/Bioconductor package - Peak Matrix Processing and signal batch correction for metabolomics data sets
statistics metabolomics mass-spectrometry scaling r-package lc-ms data-processing normalisation bioconductor-package dims
R
•
GNU General Public License v3.0
•1•2•1•0•Updated Mar 8, 2024Mar 8, 2024
django-mogi
Public
Metabolomics Organisation with Galaxy and ISA
Python
•
GNU General Public License v3.0
•0•3•0•11•Updated Feb 21, 2024Feb 21, 2024
ptox-metadata-manager
Public
The PrecisionTox Metadata Manager API
Python
•
GNU Affero General Public License v3.0
•1•0•0•0•Updated Dec 18, 2023Dec 18, 2023
cfm-galaxy
Public
Galaxy tool for applying Competitive Fragmentation Modeling (CFM)
Python
•
GNU General Public License v3.0
•2•2•7•0•Updated Nov 15, 2023Nov 15, 2023
conda-computational-metabolomics
Public
A collection of conda recipes and build workfow for the conda computational-metabolomics channel.
Shell
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GNU General Public License v3.0
•0•0•0•0•Updated Aug 4, 2023Aug 4, 2023
staged-recipes
Public
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
Python
•
BSD 3-Clause "New" or "Revised" License
•5k•0•0•0•Updated Aug 3, 2023Aug 3, 2023
dimspy
Public
Python package for processing direct-infusion mass spectrometry-based metabolomics and lipidomics data
metabolomics mass-spectrometry raw mzml untargeted-metabolomics dims
Python
•
GNU General Public License v3.0
•9•19•1•2•Updated Jul 6, 2023Jul 6, 2023
django-gfiles
Public
Simple file management in Django
HTML
•
GNU General Public License v3.0
•0•1•0•0•Updated Jun 29, 2023Jun 29, 2023
django-galaxy
Public
Galaxy interfacing with Django
Python
•
GNU General Public License v3.0
•0•1•0•0•Updated Jun 20, 2023Jun 20, 2023
beamspy
Public
BEAMSpy - Birmingham mEtabolite Annotation for Mass Spectrometry (Python Package)
metabolomics mass-spectrometry lc-ms dims metabolite-identification
Python
•
GNU General Public License v3.0
•5•17•1•0•Updated May 12, 2023May 12, 2023
metaboblend
Public
Python package for de novo structural elucidation of small molecules in mass spectrometry-based Metabolomics
C
•
GNU General Public License v3.0
•1•4•0•2•Updated Nov 7, 2022Nov 7, 2022
beamspy-galaxy
Public
Galaxy tools for BEAMSpy: Birmingham mEtabolite Annotation for Mass SpectroMetry (Python Package)
databases metabolomics lc-ms dims metabolites metabolite-identification
Python
•
GNU General Public License v3.0
•2•2•0•1•Updated May 4, 2022May 4, 2022
metabolabpy
Public
NMR data processing
Python
•
GNU General Public License v3.0
•3•0•0•0•Updated Sep 23, 2021Sep 23, 2021
msnpy
Public
Python package for processing and annotation of MSn fragmentation data
Python
•
GNU General Public License v3.0
•1•0•0•1•Updated Sep 14, 2021Sep 14, 2021
metexpy
Public
MetExPy: Python package to search, extract and rename metabolite and lipid names using regular expression
Python
•
GNU General Public License v3.0
•0•0•0•0•Updated Jul 9, 2021Jul 9, 2021
amimspy
Public
Python package for processing acoustic mist ionization mass spectrometry-based metabolomics and lipidomics data
Python
•
GNU General Public License v3.0
•0•0•0•0•Updated Jun 18, 2021Jun 18, 2021
sbcms
Public archive
⚠️ 🚫 [DEPRECATED] see README for more details.
metabolomics mass-spectrometry lc-ms data-processing dims batch-correction
HTML
•
GNU General Public License v3.0
•1•1•0•0•Updated Jun 15, 2021Jun 15, 2021
msp2db
Public
Convert MSP files into a database
Python
•
GNU General Public License v3.0
•6•9•1•0•Updated May 4, 2021May 4, 2021