Repositories list

• chemprop-contrib

  Public
  Community-contributed extensions to the Chemprop machine learning package

  1•0•0•1•Updated Oct 31, 2025Oct 31, 2025

• chemprop

  Public
  Message Passing Neural Networks for Molecule Property Prediction

  machine-learningchemistryneural-networks+ 1drug-discovery

  Python

  •

  Other

  •695•2.2k•41•18•Updated Oct 13, 2025Oct 13, 2025

• chemprop_benchmark_v2

  Public
  Chemprop benchmarking scripts and data for v2

  Shell

  •

  MIT License

  •0•6•0•0•Updated Jul 22, 2025Jul 22, 2025

• chemprop_benchmark

  Public
  Chemprop benchmarking scripts and data for v1

  Shell

  •

  MIT License

  •6•28•1•0•Updated Jun 4, 2024Jun 4, 2024

• chemprop-v1-old-branches

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

  Python

  •

  Other

  •0•1•0•0•Updated Apr 9, 2024Apr 9, 2024

• chemprop-workshop-acs-fall2023

  Public
  Notebooks and datasets for ACS Fall 2023 CATL workshop

  Jupyter Notebook

  •

  MIT License

  •0•8•0•0•Updated Aug 21, 2023Aug 21, 2023