You can find software that has been developed in the group on github: here.

This includes:

  • the supramolecular toolkit, stk, developed by Lukas Turcani, for the automated assembly, molecular optimization and property calculation of supramolecular materials

  • pyWindow, for the analysis of molecular pores and windows, developed by Marcin Miklitz

  • machine learning models for shape persistency in organic cages, developed by Lukas Turcani, find the code: here