Pinned Repositories
BiNChE
Enrichment analysis of molecular structures based on the ChEBI ontology
bioconda-recipes
Conda recipes for the bioconda channel.
cheminformatics-bq
ConvertMetFragCSV
Convert MetFrag CSV output files into XLS with molecular images
LipidFrag
Classifiers for MetFrag based Lipid Identification
metabolomics2018
Workshop for the xcms(3) workshop at the metabolomics 2018 conference in Seattle
metfrag_statistical_annotation
metfragrank
Process MetFrag parameter files and calculate rank summary
SpectraComparisonViewer
A nice D3JS spectra viewer to visualize and compare MS spectra.
Tools
c-ruttkies's Repositories
c-ruttkies/ConvertMetFragCSV
Convert MetFrag CSV output files into XLS with molecular images
c-ruttkies/LipidFrag
Classifiers for MetFrag based Lipid Identification
c-ruttkies/metfrag_statistical_annotation
c-ruttkies/Tools
c-ruttkies/metabolomics2018
Workshop for the xcms(3) workshop at the metabolomics 2018 conference in Seattle
c-ruttkies/metfragrank
Process MetFrag parameter files and calculate rank summary
c-ruttkies/SpectraComparisonViewer
A nice D3JS spectra viewer to visualize and compare MS spectra.
c-ruttkies/BiNChE
Enrichment analysis of molecular structures based on the ChEBI ontology
c-ruttkies/bioconda-recipes
Conda recipes for the bioconda channel.
c-ruttkies/cheminformatics-bq
c-ruttkies/container-galaxy-k8s-runtime
First version of a PhenoMeNal runtime for Galaxy running inside a container orchestrator
c-ruttkies/container-metchemdata
Docker container to create your own MetChem compound database.
c-ruttkies/container-metfrag-cli-batch
Run MetFrag in batch mode in a container.
c-ruttkies/container-MetFragParameterExport
c-ruttkies/ConvertSDF
Converts SDF files to CSV or XLS files.
c-ruttkies/helm-charts
PhenoMeNal Helm Charts
c-ruttkies/MassBank-web
The web server application and directly connected components for a MassBank web server
c-ruttkies/MetFragParameterExport
Export parameters from mzML files.
c-ruttkies/MetFragRelaunched
Relaunch of the initial MetFrag project.
c-ruttkies/msdk
MSDK source code repository
c-ruttkies/mtbls-dwnld
c-ruttkies/patents-public-data
Patent analysis using the Google Patents Public Datasets on BigQuery
c-ruttkies/phmnl_statistical_worfklow_api
Run the statistical workflow published and maintained by Workflow4Metabolomics within the PhenoMeNal EU project.
c-ruttkies/pssc
Plant Science Student Conference
c-ruttkies/ReSOLUTION
SOLUTIONS for High ReSOLUTION Mass Spectrometry
c-ruttkies/spring-one-2013
Presentation and Code for SpringOne 2013
c-ruttkies/springboot-jwt-sample
Secures REST APIs with Spring Security and JWT Token based Authentication
c-ruttkies/tutorials
The "REST With Spring" Course:
c-ruttkies/vms
My virtual machine files.