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Currently set up a config.min_reward option to return a minimum reward (instead of a ranked reward calculation) for invalid molecules. But, I think this has the side-effect of causing the MCTS algorithm not know how to distinguish high-performing molecules from actually invalid ones. Maybe the policy network training will solve this, but it might also be something we can adjust through the RR calculation
The text was updated successfully, but these errors were encountered:
Currently set up a
config.min_reward
option to return a minimum reward (instead of a ranked reward calculation) for invalid molecules. But, I think this has the side-effect of causing the MCTS algorithm not know how to distinguish high-performing molecules from actually invalid ones. Maybe the policy network training will solve this, but it might also be something we can adjust through the RR calculationThe text was updated successfully, but these errors were encountered: