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How to use MCTS to generate molecules

Status: Open.

#13 In tsudalab/ChemTS;

· 1121091694 opened on Oct 11, 2022

Why do we need to normalize logP

Status: Open.

#12 In tsudalab/ChemTS;

· nickyoungforu opened on Apr 25, 2021

How to get the .txt?

Status: Open.

#11 In tsudalab/ChemTS;

· FushanSep opened on May 12, 2020

Generate new molecules with MCTS and/or RNN model

Status: Open.

#9 In tsudalab/ChemTS;

· chengthefang opened on Jul 8, 2018

Accuracy Goes Down And Loss Increases After 19th Epoch

Status: Open.

#8 In tsudalab/ChemTS;

· xuzhang5788 opened on Jun 14, 2018

how to set GPU for training?

Status: Open.

#7 In tsudalab/ChemTS;

· xuzhang5788 opened on Jun 14, 2018

Code license

Status: Open.

#6 In tsudalab/ChemTS;

· gregkoytiger opened on May 8, 2018

How to Generate Molecules?

Status: Open.

#5 In tsudalab/ChemTS;

· ALPHAYA-Japan opened on Apr 27, 2018