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AstraZeneca
chemicalx AstraZeneca
87
708
apache-2.0
22
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
drug torch pharma smiles biology pytorch geometry chemistry drug-pair torchdrug polypharmacy deep-learning deep-chemistry drug-discovery smiles-strings drug-interaction machine-learning graph-neural-network geometric-deep-learning
Created 2021-12-06
318 commits to main branch, last one about a year ago