/metaboblend

Python package for de novo structural elucidation of small molecules in mass spectrometry-based Metabolomics

Primary LanguagePythonGNU General Public License v3.0GPL-3.0

MetaboBlend

Git Build Status

Python package for de novo structural elucidation of small molecules in mass spectrometry-based Metabolomics

Command line

$ metaboblend --help

Bugs

Please report any bugs that you find here. Or fork the repository on GitHub and create a pull request (PR). We welcome all contributions, and we will help you to make the PR if you are new to git.

Developers & Contributors

Licenses

MetaboBlend is licensed under the GNU General Public License v3.0 (see LICENSE file for licensing information). Copyright © 2019 - 2020 Jack Gisby, Ralf Weber