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Code for Mix&Match4metabolomics

How to use:

  1. create conda environment from ENV.yml
  2. In Main.py: change settings path (on the bottom) to your settings file. Suggested: first_settings.json in mycode/src/. This will run classyfire and matchms and integrate them with an mgf from mzmine and sirius results.
  3. in internal_settings.json: change to your paths

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Mix and match for metabolomics

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