/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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