Aside from optimal integration of methods with conflicting library dependencies, as discussed earlier, several other improvements for MolScore are planned for the future. More generally, adding further scoring functions and performance evaluation functionality, for example, structure interaction fingerprint rescoring for docked poses. Accepting molecules with 3D conformations as inputs, particularly for structure-based scoring functions such as docking and shape alignment. This will become more useful following the increase in 3D structurebased generative models and will mitigate the need for ligand preparation protocols and conformational searches currently required for said scoring functions. Integrating dynamic configuration files that can be updated during the course of optimisation for use in curriculum learning (ideally the files will be modifiable directly through the monitor GUI to help inform the change in objective). Lastly, although we have not specified benchmark tasks per se, integrating a benchmark mode may be desirable for a particular set of objective tasks.