ChemistryAtlas Code
awslabs/dgl-lifesci
Drug discovery and ADMET MLGitHubsource codebioinformaticscheminformaticsdeep-learningdgldrug-discoverygeometric-deep-learninggraph-neural-networksmolecule
Python package for graph neural networks in chemistry and biology
Why it is useful: Drug discovery and ADMET ML repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 805 stars, 160 forks, primary language: Python.
Citation: GitHub repository: awslabs/dgl-lifesci