ChemistryAtlas Code
mims-harvard/TxGNN
Drug discovery and ADMET MLGitHubsource codedrug-designdrug-discoverygeometric-deep-learninggraph-neural-networksindications-and-warningknowledge-graphprecision-medicinetherapeutics
TxGNN: Zero-shot prediction of therapeutic use with geometric deep learning and clinician centered design
Why it is useful: Drug discovery and ADMET ML repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 273 stars, 74 forks, primary language: Jupyter Notebook.
Homepage: https://zitniklab.hms.harvard.edu/projects/TxGNN
Citation: GitHub repository: mims-harvard/TxGNN