CDPL Python Cookbook

This ‘cookbook’ provides a set of scripts that demonstrate how often occurring tasks in cheminformatics can be accomplished with Python code that utilizes functionality offered by the CDPL.

The scripts are all ready-to-run and have been designed to be executed on the command line. Most of the scripts require arguments to be specified (e.g. path to input/output files). Information on required/supported arguments can be obtained by running the scripts without arguments.

The source code provided by this cookbook can be used without restrictions for any purpose under the terms of the Zero-Clause BSD License (0BSD).


The scripts require a properly set up installation of the CDPL Python bindings. Please visit section Installing CDPKit for further information.