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@ohuelab

Ohue Laboratory, Science Tokyo

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  1. PairMap PairMap Public

    PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Compound Transformations

    Python 11

  2. QEPPI QEPPI Public

    Quantitative Estimate Index for Early-Stage Screening of Compounds Targeting Protein-Protein Interactions

    Python 18 7

  3. FastLomap FastLomap Public

    Forked from OpenFreeEnergy/Lomap

    Alchemical mutation scoring map

    Python 9 1

  4. SpatialPPI SpatialPPI Public

    Python 10 4

  5. MMGX MMGX Public

    MMGX: Multiple Molecular Graph eXplainable Discovery

    Jupyter Notebook 18 4

  6. npgpt npgpt Public

    Jupyter Notebook 8 1

Repositories

Showing 10 of 21 repositories
  • PairMap Public

    PairMap: An Intermediate Insertion Approach for Improving the Accuracy of Relative Free Energy Perturbation Calculations for Distant Compound Transformations

    ohuelab/PairMap’s past year of commit activity
    Python 11 MIT 0 0 0 Updated May 13, 2025
  • helixfold3-benchmark-fep Public

    Benchmarking HelixFold3-Predicted Holo Structures for Relative Free Energy Perturbation Calculations

    ohuelab/helixfold3-benchmark-fep’s past year of commit activity
    2 1 0 0 Updated May 13, 2025
  • AF2_exploration Public
    ohuelab/AF2_exploration’s past year of commit activity
    Shell 0 0 0 0 Updated May 10, 2025
  • SpatialPPIv2 Public
    ohuelab/SpatialPPIv2’s past year of commit activity
    Python 13 Apache-2.0 2 2 1 Updated May 6, 2025
  • npgpt Public
    ohuelab/npgpt’s past year of commit activity
    Jupyter Notebook 8 MIT 1 0 0 Updated May 3, 2025
  • ALLM-Ab Public
    ohuelab/ALLM-Ab’s past year of commit activity
    Jupyter Notebook 0 0 0 0 Updated Apr 17, 2025
  • Wang-FEP-dataset Public

    Wang et al. JACS 2015. FEP dataset

    ohuelab/Wang-FEP-dataset’s past year of commit activity
    2 0 0 0 Updated Jan 29, 2025
  • FastLomap Public Forked from OpenFreeEnergy/Lomap

    Alchemical mutation scoring map

    ohuelab/FastLomap’s past year of commit activity
    Python 9 MIT 13 0 1 Updated May 19, 2024
  • MMGX Public

    MMGX: Multiple Molecular Graph eXplainable Discovery

    ohuelab/MMGX’s past year of commit activity
    Jupyter Notebook 18 4 0 0 Updated Apr 9, 2024
  • SpatialPPI Public
    ohuelab/SpatialPPI’s past year of commit activity
    Python 10 Apache-2.0 4 2 0 Updated Mar 16, 2024
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