/tools/Graph-Neural-Networks-in-Life-Sciences

Graph-Neural-Networks-in-Life-Sciences

dglai/Graph-Neural-Networks-in-Life-Sciences

219 stars47 forksJupyter NotebookAdded February 5, 2026
summary

This repository provides a hands-on tutorial on using graph neural networks (GNNs) for various applications in life sciences, including predicting properties of small and macro-molecules, and drug discovery. It includes practical sessions on training GNN models for molecular property prediction and binding affinity prediction for protein-ligand pairs.

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