Optimization of DRD2 docking score by Augmented Hill-Climb compared to REINVENT Optimization ability and sample-efficiency was assessed using the procedure described in Methods (Experiment 1, Figure ). Specifically a RNN was trained on the MOSES n dataset , an agent was initialized which then underwent RL updates to optimize the docking score of de novo molecules against DRD2. The REINVENT strategy and docking protocol was identical to our previous work .