glasgowcompbio

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16 repositories

vimms
Public
A programmable and modular LC/MS simulator in Python
python simulation dda metabolomics fragmentation
Python
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MIT License
•6•19•10•1•Updated Sep 13, 2024Sep 13, 2024
GraphOmics
Public
Interactive multi-omics data explorer to integrate and interactively explore transcripts, proteins and metabolites data.
Jupyter Notebook
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MIT License
•2•12•25•9•Updated May 30, 2024May 30, 2024
pySubstructures
Public
A Python package to perform unsupervised discoveries of motifs from tandem mass spectrometry data.
topic-modeling mass-spectrometry fragmentation-spectra
Jupyter Notebook
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MIT License
•0•1•2•0•Updated Mar 26, 2024Mar 26, 2024
ms2ldaviz
Public
Substructural discovery in untargeted metabolomics data using LDA topic modelling.
visualization topic-modeling metabolomics lda python django
Jupyter Notebook
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MIT License
•8•11•25•9•Updated Nov 10, 2023Nov 10, 2023
pyBasket
Public
Incorporating omics clustering for Bayesian basket trial design
clustering pymc bayesian basket trial
Jupyter Notebook
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MIT License
•0•0•1•0•Updated Aug 9, 2023Aug 9, 2023
vimms-gym
Public
A Gym environment to learn mass spectrometry data acquisition using reinforcement learning
Jupyter Notebook
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MIT License
•0•0•0•0•Updated Jul 14, 2023Jul 14, 2023
pyMultiOmics
Public
Python toolbox for multi-omics data mapping and analysis
machine-learning bioinformatics data-integration proteomics metabolomics transcriptomics multi-omics
Jupyter Notebook
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MIT License
•5•19•11•0•Updated Apr 13, 2023Apr 13, 2023
pyBatman
Public
A pipeline to infer metabolite concentrations from 1D NMR data using BATMAN (Bayesian AuTomated Metabolite Analyser for NMR)
pipeline nmr batman nmr-data metabolites infer-metabolite-concentrations
Jupyter Notebook
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GNU General Public License v3.0
•2•1•1•0•Updated Jan 26, 2023Jan 26, 2023
PALS
Public
Ranking metabolite (and other omics sets) by their activity levels via SVD
Jupyter Notebook
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MIT License
•1•2•18•1•Updated Aug 6, 2022Aug 6, 2022
pyMultiOmics-data
Public
Test data for pyMultiOmics notebooks
0•0•0•0•Updated Mar 24, 2022Mar 24, 2022
vimms-data
Public
A repo to store data needed by ViMMS demo and example notebooks
0•0•0•0•Updated Feb 24, 2022Feb 24, 2022
LiKInS
Public
Python
•0•0•2•0•Updated Apr 13, 2021Apr 13, 2021
FrAnK
Public
A Fragment Annotation Kit for Mass Spectral Peaks
JavaScript
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GNU General Public License v3.0
•0•0•12•0•Updated Mar 2, 2019Mar 2, 2019
shinyKGode
Public
An interactive web application for gradient matching methods.
inference ode differential-equations sbml gradient-matching
R
•0•2•0•0•Updated Mar 7, 2018Mar 7, 2018
docker-batman
Public
Provides a Docker container for BATMAN, used for the Bayesian analysis of 1D-NMR data
Shell
•1•0•0•0•Updated Mar 5, 2018Mar 5, 2018
MetaboCraft
Public
A Minecraft plugin for metabolomics
JavaScript
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Other
•1•0•0•0•Updated Dec 4, 2017Dec 4, 2017