This archive presents all source code required to apply the calculations of lattice energies, using Materials Studio, and subsequent analyses, including assessment of pharmaceutical relevance reported for the following manuscript: "Benchmarking of force-field calculations of lattice energies on a large public dataset, assessment of pharmaceutical relevance and comparison to density functional theory" Section B of the main Supporting Information file provides detailed instructions regarding how to reproduce the results reported therein using the source code available here. A link will be added to the online location of this manuscript once it is published. We gratefully acknowledge the funding provided from the ‘Advanced Digital Design of Pharmaceutical Therapeutics’ (ADDoPT) project, funded by the UK’s Advanced Manufacturing Supply Chain Initiative (AMSCI). Further information about the ADDoPT project can be found here: https://www.addopt.org/