In future developments of the DrugEx package, we will not only focus on the integration of novel objectives from the drug discovery toolbox (i.e. molecular docking or retrosynthesis prediction), but also on increasing the range of possible inputs to alternative linear representations of compounds (i.e. SELFIES 27 ) in sequence-based models or adding support for encoding stereochemistry. Moreover, we would like to focus on the development of user-centric features such as providing an even better learning platform for teaching the underlying concepts of AI-based molecular generation and improving the GenUI integration. The potential of artificial intelligence in drug discovery is tremendous, but integrating these novel tools in current workflows still remains a challenge and we hope that our software package will help to overcome at least some of those challenges.