The kissim library is implemented as an open-source Python package, which is available on GitHub at and as conda package at condaforge. Structures are retrieved via the OpenCADD-KLIFS module and are encoded as fingerprints using the FingerprintGenerator class; fingerprints can be compared using the FingerprintDistanceGenerator class. We also offer quick access encode and compare functionalities as Python API and as command-line interface (CLI), see Figure . Lastly, the kissim.encoding.tree module offers an automatized all-against-all clustering and phylogenetic tree generation, while the 3D visualization of fingerprints and pairwise comparisons is implemented in the kissim.viewer module.