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Better handling of out-of-scope molecules #19

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pstjohn opened this issue Oct 2, 2020 · 0 comments
Open

Better handling of out-of-scope molecules #19

pstjohn opened this issue Oct 2, 2020 · 0 comments

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@pstjohn
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pstjohn commented Oct 2, 2020

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

@pstjohn pstjohn created this issue from a note in alpha zero refactor (To do) Oct 2, 2020
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