/tools/geometric-gnns

geometric-gnns

AlexDuvalinho/geometric-gnns

119 stars6 forksAdded February 5, 2026
summary

The 'geometric-gnns' repository provides a curated list of Geometric Graph Neural Networks designed for 3D atomic systems. It includes various models, their characteristics, and a collection of datasets, facilitating research in molecular property prediction and simulations.

description

List of Geometric GNNs for 3D atomic systems

topics

ai4scienceequivariant-networksgraph-neural-networksmolecules-and-materialscoding-resourcedatasetsgeometric-deep-learning

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