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1. PerovskiteOrderingGCNNs PerovskiteOrderingGCNNs Public

   Forked from learningmatter-mit/PerovskiteOrderingGCNNs

   Repo for our paper "Learning Ordering in Crystalline Materials with Symmetry-Aware Graph Neural Networks"

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2. Perovskite-Ordering-Descriptors Perovskite-Ordering-Descriptors Public

   Forked from learningmatter-mit/Perovskite-Ordering-Descriptors

   Repo for our paper "Data-Driven Physics-Informed Descriptors of Cation Ordering in Multicomponent Perovskite Oxides"

   Jupyter Notebook 1

3. NeuralForceField NeuralForceField Public

   Forked from learningmatter-mit/NeuralForceField

   Neural Network Force Field based on PyTorch

   Jupyter Notebook 1

4. PerovskiteOrderingGCNNs_alignn PerovskiteOrderingGCNNs_alignn Public

   Forked from atomgptlab/alignn

   Supplementary repo for our paper "Learning Orderings in Crystalline Materials with Symmetry-Aware Graph Neural Networks"

   Python

5. PerovskiteOrderingGCNNs_cgcnn PerovskiteOrderingGCNNs_cgcnn Public

   Forked from learningmatter-mit/PerovskiteOrderingGCNNs_cgcnn

   Supplementary repo for our paper "Learning Orderings in Crystalline Materials with Symmetry-Aware Graph Neural Networks"

   Python

6. PerovskiteOrderingGCNNs_e3nn PerovskiteOrderingGCNNs_e3nn Public

   Forked from learningmatter-mit/PerovskiteOrderingGCNNs_e3nn

   Supplementary repo for our paper "Learning Orderings in Crystalline Materials with Symmetry-Aware Graph Neural Networks"

   Jupyter Notebook