c-ruttkies Goto Github PK

binche

Enrichment analysis of molecular structures based on the ChEBI ontology

bioconda-recipes

Conda recipes for the bioconda channel.

cheminformatics-bq

container-galaxy-k8s-runtime

First version of a PhenoMeNal runtime for Galaxy running inside a container orchestrator

container-metchemdata

Docker container to create your own MetChem compound database.

container-metfrag-cli-batch

Run MetFrag in batch mode in a container.

container-metfragparameterexport

convertmetfragcsv

Convert MetFrag CSV output files into XLS with molecular images

convertsdf

Converts SDF files to CSV or XLS files.

helm-charts

PhenoMeNal Helm Charts

lipidfrag

Classifiers for MetFrag based Lipid Identification

massbank-web

The web server application and directly connected components for a MassBank web server

metabolomics2018

Workshop for the xcms(3) workshop at the metabolomics 2018 conference in Seattle

metfrag_statistical_annotation

metfragparameterexport

Export parameters from mzML files.

metfragrank

Process MetFrag parameter files and calculate rank summary

metfragrelaunched

Relaunch of the initial MetFrag project.

msdk

MSDK source code repository

mtbls-dwnld

patents-public-data

Patent analysis using the Google Patents Public Datasets on BigQuery

phmnl_statistical_worfklow_api

Run the statistical workflow published and maintained by Workflow4Metabolomics within the PhenoMeNal EU project.

pssc

Plant Science Student Conference

resolution

SOLUTIONS for High ReSOLUTION Mass Spectrometry

spectracomparisonviewer

A nice D3JS spectra viewer to visualize and compare MS spectra.

spring-one-2013

Presentation and Code for SpringOne 2013

springboot-jwt-sample

Secures REST APIs with Spring Security and JWT Token based Authentication

tools

tutorials

The "REST With Spring" Course:

vms

My virtual machine files.