Steps 1-3 are repeated until the permitted number of epochs has elapsed. All favourable linkers (and the corresponding full molecules) that achieve a total score (computed by aggregating the scores achieved on each composite objective defined in the Scoring Function) exceeding a user-defined threshold (typically 0.4) are outputted. In this work, the threshold was set to 0 to store all molecules generated. The purpose of this was to compare the profiles of molecules generated towards the beginning of the experiment and how RL gradually guides the generation of favourable molecules.