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We expect that you are familiar with at least some Python and have used OpenEye toolkits before. The main purpose of this documentation is to illustrate that by combining various OpenEye toolkits you can solve a wide range of cheminformatics and molecular modeling problems.


The OpenEye Toolkit Ecosystem


Each recipe in this documentation is divided into the following sections:

  • Problem - brief description of the problem you are trying to solve

  • Ingredients - the list of the OpenEye toolkits you need to solve this problem

  • Difficulty Level - each recipe is put into one of the following categories:


    requires very little prior knowledge


    requires a fair understanding of the toolkit libraries used to solve the problem

    _images/chilly3.png _images/chilly3.png

    requires a deep understanding of the toolkit libraries used to solve the problem

    _images/chilly3.png _images/chilly3.png _images/chilly3.png
  • Solution - code snippet(s) with detailed explanations about how to solve the problem

  • Discussion - further discussion and additional code snippet(s) to solve similar problems

  • See Also - links and references to other OpenEye toolkit manuals

Some recipes also provide complete python code that you can download. For example:

Download code


You can find the list of all available complete code examples in Summary of Code Examples.