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Engine for metabolite annotation for imaging mass spectrometry

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This project has been migrated into https://github.com/metaspace2020/metaspace

Spatial Metabolomics Engine Build Status Documentation Status codecov

High throughput molecular annotation for imaging mass spectrometry datasets

Main Features

  • Centroided imzML files as input dataset files
  • Apache Spark based implementation for easy scaling from one machine to a cluster
  • Can be run in both local and distributed modes
  • Comes with unit, regression and scientific tests
  • Web application for upload and browsing search results
  • Ansible project for easy deployment to AWS

Installation

Please check the sm-engine-ansible project

Uploading Dataset and Browsing Results

Please visit the help page of our web application running on AWS:

http://metasp.eu/#/help

Running sm-engine tests

Install CircleCI CLI tool and run circleci build from the project root.

Funding

This project is funded from the European Horizon2020 project METASPACE (no. 634402), NIH NIDDK project KPMP and internal funds of the European Molecular Biology Laboratory.

License

This project is licensed under the Apache 2.0 license.