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tsudalab / ChemTS

Molecule Design using Monte Carlo Tree Search with Neural Rollout
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How to use MCTS to generate molecules #13

Open 1121091694 opened 1 year ago

1121091694 commented 1 year ago

Nice Paper！I have two questions:

  1. Could you plz tell me how to De No generate molecules from MCTS, and RNN is enough why we need MCTS?
  2. **scores.csv in mcts_logp_improved_version: how could we get them? Thanks a lot!