To complement experimental screens, Crystal Structure Prediction (CSP) methods have been the subject of extensive research. The aim of CSP is to predict all polymorphs of a given compound in silico, with an emphasis on the identification of the most energetically stable structures, given as little information as the molecular connectivity of the molecule . Over the last 25 years, CSP has gradually progressed into a practical tool, which has been successfully demonstrated on a growing number of compounds when employing a hierarchical workflow that combines multiple models across several stages .