torchdrug

There are 2 repositories under torchdrug topic.

chemicalx
AstraZeneca / chemicalx
A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022)
deep-learning pytorch deep-chemistry graph-neural-network drug drug-pair polypharmacy drug-discovery pharma drug-interaction chemistry biology machine-learning torch geometric-deep-learning geometry smiles smiles-strings torchdrug
Language:Python 703
DeepGraphLearning / esm-s
Structure-Informed Protein Language Model
protein protein-structure torchdrug
Language:Python 25
Orbifold / drug-repurposing
Drug Repurposing using TigerGraph and Graph Machine Learning.
tigergraph repurposing-drugs torchdrug geometric-deep-learning graph-neural-networks
Language:Jupyter Notebook 11
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