Structural data is read and processed with BioPython 22 and BioPandas; 36 computation is performed with NumPy, Pandas, 38 SciPy, and Scikit-learn. The code for operations that are of use outside of the KiSSim project has been added to the OpenCADD library: KLIFS queries are implemented in the OpenCADD-KLIFS module and subpocket centers can be defined and visualized with the OpenCADD-pocket module.