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deep-chemistry

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AstraZeneca / chemicalx

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

深度学习 PyTorch deep-chemistry graph-neural-network drug drug-pair polypharmacy drug-discovery pharma drug-interaction chemistry biology 机器学习 torch geometric-deep-learning geometry

Python

738

89

2 年前

AstraZeneca / awesome-drug-pair-scoring

Readings for "A Unified View of Relational Deep Learning for Drug Pair Scoring." (IJCAI 2022)

deep-chemistry chemistry polypharmacy 深度学习机器学习 relational-learning drug gcn gnn knowledge-graph graph-neural-network

94

14

3 年前