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geometric graph isomorphism

1 paper

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Co-occurring keywords · papers mentioning both

3d molecular graph (1) geometric graph (1) molecular learning (1) bayesian uncertainty (1) graph neural network (1) molecular property prediction (1) diversity sampling (1) graph isomorphism (1) molecular graph (1) geometric graph neural network (1)

Papers

Empowering Active Learning for 3D Molecular Graphs with Geometric Graph Isomorphism NeurIPS 2024