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Home of the official chemprop project

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  1. chemprop chemprop Public

    Message Passing Neural Networks for Molecule Property Prediction

    Python 1.8k 596

  2. chemprop_benchmark chemprop_benchmark Public

    Chemprop benchmarking scripts and data for v1

    Shell 25 6

  3. chemprop-workshop-acs-fall2023 chemprop-workshop-acs-fall2023 Public

    Notebooks and datasets for ACS Fall 2023 CATL workshop

    Jupyter Notebook 7

  4. chemprop-v1-old-branches chemprop-v1-old-branches Public archive

    Old branches based on old versions of Chemprop prior to v2.0.0

    Python 1

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Showing 4 of 4 repositories
  • chemprop Public

    Message Passing Neural Networks for Molecule Property Prediction

    chemprop/chemprop’s past year of commit activity
    Python 1,834 596 45 11 Updated Dec 24, 2024
  • chemprop_benchmark Public

    Chemprop benchmarking scripts and data for v1

    chemprop/chemprop_benchmark’s past year of commit activity
    Shell 25 MIT 6 1 0 Updated Jun 4, 2024
  • chemprop-v1-old-branches Public archive

    Old branches based on old versions of Chemprop prior to v2.0.0

    chemprop/chemprop-v1-old-branches’s past year of commit activity
    Python 1 0 0 0 Updated Apr 9, 2024
  • chemprop-workshop-acs-fall2023 Public

    Notebooks and datasets for ACS Fall 2023 CATL workshop

    chemprop/chemprop-workshop-acs-fall2023’s past year of commit activity
    Jupyter Notebook 7 MIT 0 0 0 Updated Aug 21, 2023

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