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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 157 52

  2. combo combo Public

    COMmon Bayesian Optimization

    Python 149 37

  3. ChemGE ChemGE Public

    Population-based De Novo Molecule Generation, Using Grammatical Evolution

    Python 40 11

  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. fmqa fmqa Public

    A trainable Binary Quadratic Model (BQM) as a Factorization Machine (FM)

    Python 23 5

Repositories

Showing 10 of 46 repositories
  • POPSL Public

    A PSL-based multi-objective optimization algorithm

    tsudalab/POPSL’s past year of commit activity
    Python 1 0 0 0 Updated Aug 21, 2024
  • brxngenerator Public

    A binary-version of rxngenerator

    tsudalab/brxngenerator’s past year of commit activity
    0 MIT 0 0 0 Updated Jul 26, 2024
  • rxngenerator Public

    A generative model for molecular generation via multi-step chemical reactions

    tsudalab/rxngenerator’s past year of commit activity
    Python 12 MIT 3 1 0 Updated Jul 24, 2024
  • fast-stein-correction Public
    tsudalab/fast-stein-correction’s past year of commit activity
    Jupyter Notebook 2 MIT 0 0 0 Updated May 9, 2024
  • ChemTS-torch Public

    PyTorch Implementation of ChemTS as a de novo molecule designer

    tsudalab/ChemTS-torch’s past year of commit activity
    Python 4 1 0 0 Updated Dec 11, 2023
  • DT-sampler Public
    tsudalab/DT-sampler’s past year of commit activity
    Python 3 0 0 0 Updated Sep 2, 2023
  • DOPBO Public

    Drainable One-Pot Bayesian Optimization

    tsudalab/DOPBO’s past year of commit activity
    Python 0 0 0 0 Updated Aug 31, 2023
  • Polymer-degradability-ranking Public

    Revealing Factors Influencing Polymer Degradation with Rank-based Machine Learning

    tsudalab/Polymer-degradability-ranking’s past year of commit activity
    Python 6 MIT 0 0 1 Updated Aug 22, 2023
  • RPPF Public

    Ranking of Pareto solutions based on projection free-energy

    tsudalab/RPPF’s past year of commit activity
    Python 1 0 0 0 Updated Jul 15, 2023
  • bVAE-IM Public

    Implementation of "Chemical Design with GPU-based Ising Machine"

    tsudalab/bVAE-IM’s past year of commit activity
    Python 11 MIT 3 0 0 Updated Jul 11, 2023
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