/tools/EquiHGNN
EquiHGNN
HySonLab/EquiHGNN
summary
EquiHGNN is a framework for scalable rotationally equivariant hypergraph neural networks aimed at improving molecular modeling. It integrates symmetry-aware representations to enhance predictions of molecular properties using various datasets, including QM9 and PCQM4Mv2.
description
Rotationally Equivariant Hypergraph Neural Networks (EquiHGNN)
topics
density-functional-theoryequivariant-graph-neural-networkequivariant-representationsgraph-neural-networkshigher-orderhypergraph-neural-networksmolecular-modelingmolecular-property-predictionmolecular-representation-learningqm9-datasetquantum-chemistry
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