/tools/graphein

graphein

a-r-j/graphein

1,158 stars139 forksJupyter NotebookWebsiteAdded February 4, 2026
summary

Graphein is a protein and interactomic graph library that enables the creation of geometric representations of protein and RNA structures, as well as biological interaction networks. It supports various molecular types and provides functionalities for graph construction, visualization, and analysis, making it a valuable resource for molecular design and drug discovery.

description

Protein Graph Library

topics

proteinprotein-structuredeep-learningpytorchgraph-neural-networksdglcomputational-biologybioinformaticsstructural-biologyprotein-data-bankprotein-designgeometric-deep-learningpytorch-geometricpythoninteractomicsinteractomernappi-networksgene-regulatory-networksdrug-discovery

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