AstraZeneca / chemicalx Star 698 Code Issues Pull requests A PyTorch and TorchDrug based deep learning library for drug pair scoring. (KDD 2022) machine-learning deep-learning chemistry geometry biology torch pytorch drug-discovery drug smiles pharma geometric-deep-learning graph-neural-network drug-interaction polypharmacy smiles-strings deep-chemistry drug-pair torchdrug Updated Sep 11, 2023 Python
DeepGraphLearning / esm-s Star 25 Code Issues Pull requests Structure-Informed Protein Language Model protein-structure protein torchdrug Updated Feb 15, 2024 Python
Orbifold / drug-repurposing Star 10 Code Issues Pull requests Drug Repurposing using TigerGraph and Graph Machine Learning. geometric-deep-learning graph-neural-networks tigergraph repurposing-drugs torchdrug Updated Feb 13, 2022 Jupyter Notebook
VictorZXY / expressive-graph-gen Star 0 Code Issues Pull requests Mini-project for my CST Part III Representation Learning on Graphs and Networks (L45) module machine-learning deep-learning pytorch graph-neural-networks deep-generative-models torchdrug Updated Apr 27, 2022 Python