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deep-chemistry
Here are 2 public repositories matching this topic...
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
machine-learningdeep-learningchemistrygeometrybiologytorchpytorchdrug-discoverydrugsmilespharmageometric-deep-learninggraph-neural-networkdrug-interactionpolypharmacysmiles-stringsdeep-chemistrydrug-pairtorchdrug
- Updated
Sep 11, 2023 - Python
Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)
machine-learningdeep-learningchemistryddiknowledge-graphdrug-repurposingdrugdrug-designrelational-learninggcndrug-drug-interactiondrug-target-interactionsgnngraph-neural-networkdrug-combinationpolypharmacydecagondrug-synergysynergy-predictiondeep-chemistry
- Updated
Aug 7, 2022
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