chemicalx

A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)

GitHub
706 stars
22 watching
88 forks
Language: Python
last commit: about 1 year ago
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biologychemistrydeep-chemistrydeep-learningdrugdrug-discoverydrug-interactiondrug-pairgeometric-deep-learninggeometrygraph-neural-networkmachine-learningpharmapolypharmacypytorchsmilessmiles-stringstorchtorchdrug

Screenshot of AstraZeneca/chemicalx website

https://chemicalx.readthedocs.io

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