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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 150 51

  2. combo combo Public

    COMmon Bayesian Optimization

    Python 144 37

  3. ChemGE ChemGE Public

    Population-based De Novo Molecule Generation, Using Grammatical Evolution

    Python 39 11

  4. MDTS MDTS Public

    Materials Design by Monte Carlo Tree Search

    Python 33 10

  5. combo3 combo3 Public

    COMBO for Python 3

    Python 31 15

  6. fmqa fmqa Public

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

    Python 22 5

Repositories

Showing 10 of 44 repositories
  • fast-stein-correction Public
    tsudalab/fast-stein-correction’s past year of commit activity
    Jupyter Notebook 0 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 4 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 2 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
  • MolSLEPA Public

    Interpretable Fragment-based Molecule Design with Self-learning Entropic Population Annealing

    tsudalab/MolSLEPA’s past year of commit activity
    Python 5 MIT 1 0 1 Updated Apr 13, 2023
  • ACP4 Public Forked from UnixJunkie/ACP4

    AutoCorrelation of Pharmacophore Features

    tsudalab/ACP4’s past year of commit activity
    OCaml 15 GPL-3.0 3 0 0 Updated Mar 6, 2023
  • fmqa Public

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

    tsudalab/fmqa’s past year of commit activity
    Python 22 MIT 5 4 2 Updated Mar 1, 2023
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