ChemistryAtlas Code
AstraZeneca/chemicalx
Drug discovery and ADMET MLGitHubsource codebiologychemistrydeep-chemistrydeep-learningdrugdrug-discoverydrug-interactiondrug-pairgeometric-deep-learning
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
Why it is useful: Drug discovery and ADMET ML repository for chemistry, cheminformatics, molecular ML, simulation, synthesis, or drug discovery workflows.
GitHub signals: 781 stars, 102 forks, primary language: Python.
Homepage: https://chemicalx.readthedocs.io
Citation: GitHub repository: AstraZeneca/chemicalx