deep-chemistry

There are 1 repository under deep-chemistry topic.

chemicalx
AstraZeneca / chemicalx
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
biology chemistry deep-chemistry deep-learning drug drug-discovery drug-interaction drug-pair geometric-deep-learning geometry graph-neural-network machine-learning pharma polypharmacy pytorch smiles smiles-strings torch torchdrug
Language:Python 698
awesome-drug-pair-scoring
AstraZeneca / awesome-drug-pair-scoring
Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)
ddi drug-synergy synergy-prediction deep-chemistry chemistry polypharmacy deep-learning machine-learning relational-learning drug-combination drug-drug-interaction drug-repurposing drug-design drug-target-interactions drug gcn gnn knowledge-graph graph-neural-network decagon
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