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node-edge-classification

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shahram-boshra / ne_class

Molecular Graphs Node/Edge-level Classification GNN

python machine-learning deep-learning cheminformatics pytorch rdkit edge-classification graph-convolutional-networks node-classification graph-neural-networks pytorch-geometric gnn molecular-graphs rdkit-chem molecular-property-prediction chemical-informatics molecular-graph-neural-networks node-edge-classification

Updated Apr 3, 2025
Python

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