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CADETMatch uses a JSON based configuration file format. CADETMatch uses jstyleson to support JSON with comments. You can programatically create the JSON in Python using nested dictionaries or addict and then convert to JSON.

Ususally, the configuration has to include:

  • Basic setup of CADET-Match

  • Connection with experimental data

  • Configuration of features and scores

  • Creation of reference model

  • Seting up parameters (including transforms)

  • Configuration of search algorithm

In this section, the general structure of the CADET-Match configuration is described. For more information, see also the examples.