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GitHub / RECETOX / ei_spectra_predictions

This repository contains the workflow and supporting information for "Quantum chemistry based prediction of electron ionization mass spectra for environmental chemicals".

JSON API: https://repos.ecosyste.ms/api/v1/hosts/GitHub/repositories/RECETOX%2Fei_spectra_predictions

Stars: 0
Forks: 0
Open Issues: 3

License: mit
Language: Jupyter Notebook
Repo Size: 117 MB
Dependencies: 1

Created: over 1 year ago
Updated: about 2 months ago
Last pushed: about 2 months ago
Last synced: about 2 months ago

Topics: exposomics, gc-ms, mass-spectormetry, metabolomics, qxcms

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    Dependencies
    .github/workflows/project_automation.yml actions