ChemistryAtlas Code
chemprop/chemprop
Drug discovery and ADMET MLGitHubsource codechemistrydrug-discoverymachine-learningneural-networks
Message Passing Neural Networks for Molecule Property Prediction
Why it is useful: Drug discovery and ADMET ML repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 2386 stars, 744 forks, primary language: Python.
Homepage: https://chemprop.csail.mit.edu
Citation: GitHub repository: chemprop/chemprop