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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 716

  2. chemprop_benchmark chemprop_benchmark Public

    Chemprop benchmarking scripts and data for v1

    Shell 31 7

  3. chemprop-contrib chemprop-contrib Public

    Community-contributed extensions to the Chemprop machine learning package

    Python 16 4

  4. chemprop_benchmark_v2 chemprop_benchmark_v2 Public

    Chemprop benchmarking scripts and data for v2

    Shell 9

  5. chemprop-workshop-acs-fall2023 chemprop-workshop-acs-fall2023 Public

    Notebooks and datasets for ACS Fall 2023 CATL workshop

    Jupyter Notebook 8

  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 Public

    Message Passing Neural Networks for Molecule Property Prediction

    chemprop/chemprop’s past year of commit activity
    Python 2,246 716 10 3 Updated Jan 19, 2026
  • chemprop-contrib Public

    Community-contributed extensions to the Chemprop machine learning package

    chemprop/chemprop-contrib’s past year of commit activity
    Python 16 4 0 1 Updated Dec 1, 2025
  • chemprop_benchmark_v2 Public

    Chemprop benchmarking scripts and data for v2

    chemprop/chemprop_benchmark_v2’s past year of commit activity
    Shell 9 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 31 MIT 7 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 22, 2023

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