chemicalx
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
708 stars
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Language: Python
last commit: about 1 year ago
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biologychemistrydeep-chemistrydeep-learningdrugdrug-discoverydrug-interactiondrug-pairgeometric-deep-learninggeometrygraph-neural-networkmachine-learningpharmapolypharmacypytorchsmilessmiles-stringstorchtorchdrug