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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 173 51

  2. combo combo Public

    COMmon Bayesian Optimization

    Python 163 38

  3. ChemGE ChemGE Public

    Population-based De Novo Molecule Generation, Using Grammatical Evolution

    Python 42 10

  4. combo3 combo3 Public

    COMBO for Python 3

    Python 36 16

  5. MDTS MDTS Public

    Materials Design by Monte Carlo Tree Search

    Python 35 11

  6. fmqa fmqa Public

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

    Python 27 9

Repositories

Showing 10 of 58 repositories
  • WetRobo Public
    tsudalab/WetRobo's past year of commit activity
    Python 0 0 1 0 Updated Sep 15, 2026
  • ChemTS-torch Public

    PyTorch Implementation of ChemTS as a de novo molecule designer

    tsudalab/ChemTS-torch's past year of commit activity
    Python 5 MIT 2 0 0 Updated Jun 22, 2026
  • DPP-PDC Public
    tsudalab/DPP-PDC's past year of commit activity
    Python 2 MIT 0 0 0 Updated Apr 4, 2026
  • Monomerizer Public
    tsudalab/Monomerizer's past year of commit activity
    Python 9 0 0 0 Updated Feb 7, 2026
  • aLLoyM Public
    tsudalab/aLLoyM's past year of commit activity
    Python 7 1 0 0 Updated Nov 5, 2025
  • vibration_spectra_transformer Public

    The code repository of Deep Learning-Assisted De Novo Molecular Identification through Vibrational Spectra

    tsudalab/vibration_spectra_transformer's past year of commit activity
    Python 2 0 0 0 Updated Nov 3, 2025
  • brxngenerator Public

    A binary-version of rxngenerator

    tsudalab/brxngenerator's past year of commit activity
    Python 4 MIT 1 0 0 Updated Sep 16, 2025
  • DT-sampler-CP Public

    DT-sampler with conformal prediction

    tsudalab/DT-sampler-CP's past year of commit activity
    Jupyter Notebook 2 1 0 0 Updated Aug 22, 2025
  • HDXRank Public

    applies HDX-MS restraints to rank protein-protein complex predictions

    tsudalab/HDXRank's past year of commit activity
    Python 6 MIT 1 0 0 Updated Jul 23, 2025
  • DiffMeta Public

    Inverse Design of Metamaterials with Manufacturing-Aware Spectrum-to-Shape Diffusion Models

    tsudalab/DiffMeta's past year of commit activity
    Python 4 0 0 0 Updated Jul 19, 2025

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