Skip to content
@chemprop

chemprop

Home of the official chemprop project

Popular repositories Loading

  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 11 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

Top languages

Loading…

Most used topics

Loading…