robinschmid

microbe_masst

Using MASST or fastMASST, adding metadata onto a tree ontology for microbes

annotation_validation

Validation of small molecule annotations

Imajar

Tools for rapid imaging analysis and visualisation of analytical data (mass spectrometry, optical emission spectroscopy, µXRF, ...)

CD-MRG-metabolomics_summerschool_2023

This repository contains teaching material for the 3rd International Summer School on Non-Targeted Metabolomics Data Mining for Biomedical Research

cdk

The Chemistry Development Kit

compound_metadata_kraken

cosine_neutral_loss

GFOPontology

GNPS_MASST

GNPS_quickstart

GNPS_sharedcode

GNPS_SpectralSimilarityHub

GNPS_Workflows

Public Workflows at GNPS

GNPSDocumentation

gs-core

Graphstream core

hugo-academic

📝 The website builder for Hugo. Build and deploy a beautiful website in minutes!

interactive-treejs

A Javascript D3 implementation of a collapsible tree for ontologies

jimzMLParser

Java imzML (mass spectrometry imaging) and mzML (mass spectrometry) parser

Metabolomics_SummerSchool_2022

This repository contains teaching material for the [2nd Internatonal Summer School on Non-Targeted Metabolomics](https://www.functional-metabolomics.com/metabosummerschool2022)

mzmine.github.io

MZmine website

mzmine2

MZmine 2 source repository

mzmine3

MZmine 3 source code repository

mzmine3old

MZmine 3 source repository (unstable, for developers only)

mzmine_documentation

mzmine_documentation

Nextflow_Workflow_Template

robinschmid.github.io

Academic website

simsef_py

Python code for SIMSEF acquisition tool

sirius_frontend

This is the SIRIUS frontend, containing the GUI and the CLI for the SIRIUS library and CSI:FingerID integration

slate

Slate is a Jekyll theme for GitHub Pages

test2

test2