chemprop

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1. chemprop chemprop Public

   Message Passing Neural Networks for Molecule Property Prediction

   Python 2.5k 757

2. chemprop_benchmark chemprop_benchmark Public

   Chemprop benchmarking scripts and data for v1

   Shell 34 8

3. chemprop-contrib chemprop-contrib Public

   Community-contributed extensions to the Chemprop machine learning package

   Jupyter Notebook 21 6

4. chemprop_benchmark_v2 chemprop_benchmark_v2 Public

   Chemprop benchmarking scripts and data for v2

   Shell 11

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

   Notebooks and datasets for ACS Fall 2023 CATL workshop

   Jupyter Notebook 9

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