ChemistryAtlas Code
DeepGraphLearning/torchdrug
Drug discovery and ADMET MLGitHubsource codedeep-learningdrug-discoverygraph-neural-networkspytorch
A powerful and flexible machine learning platform for drug discovery
Why it is useful: Drug discovery and ADMET ML repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 1584 stars, 223 forks, primary language: Python.
Homepage: https://torchdrug.ai/
Citation: GitHub repository: DeepGraphLearning/torchdrug