Transferable MACE total energy model. While the ∆-ML approach successfully improves the quality of the CSP energy rankings, some of the CSP matches to experimental crystal structures are still relatively high on their energy landscape, even after applying the lattice energy correction. Considering the demonstrated accuracy of the correction, the high relative energies could be the result of limitations with the rigid-body lattice energy minimised geometries, which an energy correction is unable to remedy. Indeed, many of the structures with high relative energies are for compounds which had large geometric deviations between the experimental in-crystal molecular conformations and the gas-phase optimised molecular geometries used (and kept rigid) during CSP. Improving the performance of CSP for these more flexible molecules in our study likely requires re-optimising the predicted crystal structures and relaxing the rigid-molecule constraint.