Open tbwxmu opened 4 years ago
Hi all, A little bit confuse about the deaded while loop, are you want to skip the invalid SMILES? So add "break" next to "reward = 0" can work. However, I think you want to penalize the invalid smiles, so just replace reward to some negative value?
Hi all, A little bit confuse about the deaded while loop, are you want to skip the invalid SMILES? So add "break" next to "reward = 0" can work. However, I think you want to penalize the invalid smiles, so just replace reward to some negative value?