torchdrug

There are 1 repository under torchdrug 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 699
DeepGraphLearning / esm-s
Structure-Informed Protein Language Model
protein protein-structure torchdrug
Language:Python 24
Orbifold / drug-repurposing
Drug Repurposing using TigerGraph and Graph Machine Learning.
geometric-deep-learning graph-neural-networks repurposing-drugs tigergraph torchdrug
Language:Jupyter Notebook 10
VictorZXY / expressive-graph-gen
Mini-project for my CST Part III Representation Learning on Graphs and Networks (L45) module
deep-generative-models deep-learning graph-neural-networks machine-learning pytorch torchdrug
Language:Python 0