/tools/hignn

hignn

idrugLab/hignn

53 stars13 forksJupyter NotebookAdded February 8, 2026
summary

HiGNN is a hierarchical graph neural network framework designed for predicting molecular properties by leveraging molecular graphs and BRICS fragments. It includes datasets for training and demonstrates its effectiveness on various drug discovery-related tasks.

description

Code for "HiGNN: A Hierarchical Informative Graph Neural Network for Molecular Property Prediction Equipped with Feature-Wise Attention"

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