Location for the KempaLab Ident Databases
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Updated
Nov 3, 2020
Location for the KempaLab Ident Databases
Fitting time-course metabolomics onto genome-scale metabolic models for inferring metabolic activity.
RTMet is a data workflow to process FIA-MS data coming from a bioreactor, find metabolites and fluxes, and send a feedback command to the system.
Paper analyzing the accuracy and predictor importance of various machine/deep learning models predicting estrogen receptor status using breast cancer metabolomics data
🐳 Docker Image for PaintOmics 3
MS_targeted is an open-source command-line pipeline for statistical analysis of mass spectrometry metabolomics data.
Web application and REST Api for parsers for the Grammars on succinct lipid nomenclature (Goslin).
Graph Neural Network predicting the chemical composition of organism across the tree of life.
MFQL files for Natural Products Dereplication
R implementation of parsers for the Grammars on succinct lipid nomenclature (Goslin).
Python wrapper for the DIMEdb REST API.
Data cleaning and preparation of fenofibrate MS data
margheRita: LC-MS/MS SWATH metabolomics data analysis and confident metabolite identification based on a spectral library of reference standards
Functions for processing and analyzing metabolomics data
Phenotyping data analysis
A package to cluster and visualise MS/MS spectral data
Paired Mass Distance(PMD) analysis for GC/LC-MS based nontarget analysis
A software tool for omics-agnostic automated quality control of mass spectrometry data.
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