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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 52

  2. combo combo Public

    COMmon Bayesian Optimization

    Python 151 37

  3. ChemGE ChemGE Public

    Population-based De Novo Molecule Generation, Using Grammatical Evolution

    Python 40 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. fmqa fmqa Public

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

    Python 23 5

Repositories

Showing 10 of 49 repositories
  • Monomerizer Public
    tsudalab/Monomerizer’s past year of commit activity
    Python 2 0 0 0 Updated Jan 29, 2025
  • ENINet Public

    PyTorch Implementation of ENINet

    tsudalab/ENINet’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Jan 23, 2025
  • HDXRank Public

    applying HDX-MS restraints to protein-protein complex prediction ranking

    tsudalab/HDXRank’s past year of commit activity
    Jupyter Notebook 0 MIT 0 0 0 Updated Jan 14, 2025
  • brxngenerator Public

    A binary-version of rxngenerator

    tsudalab/brxngenerator’s past year of commit activity
    Python 1 MIT 0 0 0 Updated Nov 30, 2024
  • 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
  • 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
  • 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

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