NLeSC / MAGMaLinks
eMetabolomics project: Mass Annotation based on in silico Generated Metabolites
☆15Updated 3 years ago
Alternatives and similar repositories for MAGMa
Users that are interested in MAGMa are comparing it to the libraries listed below
Sorting:
- Untargeted metabolomics workflow for data processing and analysis written in Jupyter notebooks (Python)☆23Updated last year
- Relaunch of the initial MetFrag project.☆19Updated last month
- A database of In-Silico predicted MS/MS spectrum of Natural Products☆15Updated 3 years ago
- MS2Tox is a machine learning tool for predicting ecotoxicity of unidentified chemicals in water by nontarget LC/HRMS☆16Updated 2 weeks ago
- ☆18Updated 6 years ago
- ☆15Updated 4 years ago
- Repo hosting the MetFrag website☆10Updated 10 months ago
- This repository contains training data for retention time prediction for the identification of metabolites from non-targeted LC-MS based …☆58Updated last week
- ☆23Updated 8 months ago
- Scalable and self-optimizing processing workflow for untargeted LC-MS☆30Updated last year
- ☆11Updated 10 months ago
- metabolite identification R-package for metabolomic high-resolution LC-MS datasets.☆16Updated 8 years ago
- ☆11Updated 11 months ago
- A Bioconductor R package - Automated Evaluation of Precursor Ion Purity for Mass Spectrometry Based Fragmentation in Metabolomics☆16Updated last year
- Metabolomics software for database-assisted deconvolution of MS/MS spectra☆19Updated last year
- Spectral entropy for mass spectrometry data.☆34Updated last month
- Intrinsic Peak Analysis (IPA) pipeline for peak-picking in large-scale untargeted small molecule analysis including metabolomics, lipidom…☆15Updated 2 years ago
- The splash, this is the reference documentation☆25Updated 2 years ago
- NeatMS is an open source python package for untargeted LCMS signal labelling and filtering.☆33Updated 4 years ago
- Flash entropy search☆16Updated 2 years ago
- LipidFinder: A computational workflow for discovery of new lipid molecular species☆21Updated 4 years ago
- A Pipeline for LC-MS/MS Metabolomics Data Process and Analysis☆15Updated 2 weeks ago
- OpenAPI based libraries for different programming languages like R and Python☆18Updated last week
- mz.unity is an R package for detecting and exploring complex relationships in accurate-mass mass spectrometry data☆14Updated 9 years ago
- Tools for analysis of Mass Spectrometry data using the Wasserstein metric☆17Updated last year
- RHermes is a semi-targeted metabolomics package to deeply characterize biological and environmental samples.☆28Updated 5 months ago
- Ms2 basEd saMple vectOrization (memo) package☆17Updated 2 years ago
- Retip - Retention Time prediction for metabolomics☆32Updated last year
- ☆20Updated 2 years ago
- ☆28Updated last year