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deeprank-gnn-esm • Science 26%

Graph Network for protein-protein interface including language model features

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https://github.com/materialsvirtuallab/megnet • Science 23%

Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals

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https://github.com/baldassarrefe/torchgraphs • Science 13%

A PyTorch library for Graph Convolutional Networks.

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https://github.com/baldassarrefe/graph-network-explainability • Science 23%

Explainability techniques for Graph Networks, applied to a synthetic dataset and an organic chemistry task. Code for the workshop paper "Explainability Techniques for Graph Convolutional Networks" (ICML19)