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@tsudalab

Tsuda Laboratory

Department of Computational Biology and Medical Sciences, Graduate School of Frontier Sciences, University of Tokyo

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  1. ChemTS ChemTS Public

    Molecule Design using Monte Carlo Tree Search with Neural Rollout

    Python 160 53

  2. combo combo Public

    COMmon Bayesian Optimization

    Python 153 37

  3. ChemGE ChemGE Public

    Population-based De Novo Molecule Generation, Using Grammatical Evolution

    Python 41 10

  4. MDTS MDTS Public

    Materials Design by Monte Carlo Tree Search

    Python 34 10

  5. combo3 combo3 Public

    COMBO for Python 3

    Python 33 15

  6. BLOX BLOX Public

    BoundLess Objective-free eXploration (BLOX) for discovery of out-of-trend materials

    Python 24 6

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