Hello, I want to try to use your method to design some molecules with my own data set. Is the two models of pIC50 and metal melting temperature just different reward functions? Can you explain the significance of the reward function for the melting temperature of metals? Why use this form? Or can you provide the demo code for this experiment, I look forward to your reply! !!
Hello, I want to try to use your method to design some molecules with my own data set. Is the two models of pIC50 and metal melting temperature just different reward functions? Can you explain the significance of the reward function for the melting temperature of metals? Why use this form? Or can you provide the demo code for this experiment, I look forward to your reply! !!