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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 2.2k 706

  2. chemprop_benchmark chemprop_benchmark Public

    Chemprop benchmarking scripts and data for v1

    Shell 28 6

  3. chemprop-contrib chemprop-contrib Public

    Community-contributed extensions to the Chemprop machine learning package

    Python 10 4

  4. chemprop-workshop-acs-fall2023 chemprop-workshop-acs-fall2023 Public

    Notebooks and datasets for ACS Fall 2023 CATL workshop

    Jupyter Notebook 8

  5. chemprop_benchmark_v2 chemprop_benchmark_v2 Public

    Chemprop benchmarking scripts and data for v2

    Shell 6

  6. 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

Repositories

Showing 6 of 6 repositories
  • chemprop-contrib Public

    Community-contributed extensions to the Chemprop machine learning package

    chemprop/chemprop-contrib’s past year of commit activity
    Python 10 4 0 1 Updated Nov 30, 2025
  • chemprop Public

    Message Passing Neural Networks for Molecule Property Prediction

    chemprop/chemprop’s past year of commit activity
    Python 2,188 706 43 23 Updated Nov 11, 2025
  • chemprop_benchmark_v2 Public

    Chemprop benchmarking scripts and data for v2

    chemprop/chemprop_benchmark_v2’s past year of commit activity
    Shell 6 MIT 0 0 0 Updated Jul 22, 2025
  • chemprop_benchmark Public

    Chemprop benchmarking scripts and data for v1

    chemprop/chemprop_benchmark’s past year of commit activity
    Shell 28 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 8 MIT 0 0 0 Updated Aug 21, 2023

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