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chemprop

Home of the official chemprop project

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  1. chemprop chemprop Public

    Message Passing Neural Networks for Molecule Property Prediction

    Python 1.6k 545

  2. chemprop_benchmark chemprop_benchmark Public

    Chemprop benchmarking scripts and data

    Shell 21 3

  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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