The first is to strive towards more consistent implementations of these workflows. As we mention above, the most direct route is to only use ab initio charges and, failing that, MLbased charges, to model the electrostatic interactions. Moving towards more consistent models of the short-range range dispersion / repulsion interactions would require two stages of implementation, we expect. In the short-term and until a truly universal methodology can be developed, opting for internally consistent LJ parameters within the community is an admirable pursuit. The rational choice would be to use the UFF forcefield, given its ability to simulate MOF databases with greater chemical diversities. However, we still recommend that the performance of shortlisted MOFs should be checked for robustness against perturbations in the LJ parameter sets. In the longer-term, we foresee great possibilities in the use of machine learned interatomic potentials as a means to simulate the short-range interactions in MOFs and, provided such a method can be developed, expect this approach to radicalise the way in which HTCS studies are conducted.