Importantly, Polyjuice was only effective with proper pre-processing of each structure from Balcell's tmQM and tmQMG databases. This involved using Openbabel's molecule class to generate atomic connectivities with a modification for several atoms, such as silicon. Duplicate structures were then filtered out using the Openbabel CLI. After extraction, Polyjuice categorized each ligand based on direct ligand-to-metal connecting atoms and denticity.