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nequip
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Annotated implementations of equivariant (graph) neural networks in Jax: EGNN, SEGNN, NequIP.
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Updated
Mar 1, 2025 - Python
MLIP NequIP on the MD17 Dataset
python pytorch graph-neural-networks pytorch-geometric molecular-property-prediction machine-learning-interatomic-potential nequip mlips machine-deep-learning md17 neural-equivariant-interatomic-potentials
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Updated
Apr 23, 2025 - Python
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