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Research Group Koch

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Research Group Koch
Computational Drug Discovery

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  1. intro_pharma_ai intro_pharma_ai Public

    A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.

    Jupyter Notebook 135 23

  2. myerson myerson Public

    A python package to calculate Myerson values from game theory and use them as explanations for graph neural networks.

    Python 2 1

  3. kinase_nnfp kinase_nnfp Public

    Code to generate kinase-specific fingerprints based on the ECFP4 1024bits

    Python 6 5

  4. neural_npfp neural_npfp Public

    Repository to recreate experiments and calculate the Neural Natural Product Fingerprint.

    Python 3 1

Repositories

Showing 8 of 8 repositories
  • intro_pharma_ai Public

    A collection of Jupyter Notebooks that are designed to teach life science students about deep learning.

    kochgroup/intro_pharma_ai’s past year of commit activity
    Jupyter Notebook 135 23 2 0 Updated Sep 12, 2024
  • myerson_results Public

    Proof-of-concept experiments to validate the us of Myerson values as XAI method for GNNs.

    kochgroup/myerson_results’s past year of commit activity
    Python 0 MIT 0 0 0 Updated Jul 26, 2024
  • myerson Public

    A python package to calculate Myerson values from game theory and use them as explanations for graph neural networks.

    kochgroup/myerson’s past year of commit activity
    Python 2 MIT 1 1 0 Updated Jul 26, 2024
  • staged-recipes Public Forked from conda-forge/staged-recipes

    A place to submit conda recipes before they become fully fledged conda-forge feedstocks

    kochgroup/staged-recipes’s past year of commit activity
    Python 0 BSD-3-Clause 5,008 0 0 Updated Jul 25, 2024
  • .github Public
    kochgroup/.github’s past year of commit activity
    0 0 0 0 Updated Sep 11, 2023
  • neural_npfp Public

    Repository to recreate experiments and calculate the Neural Natural Product Fingerprint.

    kochgroup/neural_npfp’s past year of commit activity
    Python 3 1 0 0 Updated Apr 25, 2023
  • ogb-hiv-benchmark Public
    kochgroup/ogb-hiv-benchmark’s past year of commit activity
    Python 0 0 0 0 Updated Mar 24, 2022
  • kinase_nnfp Public

    Code to generate kinase-specific fingerprints based on the ECFP4 1024bits

    kochgroup/kinase_nnfp’s past year of commit activity
    Python 6 5 0 0 Updated Aug 23, 2021

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