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@qmatyanlab

Computational and data-driven design of quantum and energy materials - Qimin Yan's Group at Northeastern

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  1. TSENN TSENN Public

    Implementation of Accurate Prediction of Tensorial Properties via an Equivariant Neural Network (TSENN)

    Jupyter Notebook 9 2

  2. CHGCNN CHGCNN Public

    Python 8

  3. Bandformer Bandformer Public

    Implementation of Graph Transformer Networks for Accurate Band Structure Prediction: An End-to-End Approach

    Python 8 1

  4. DisorderGNN DisorderGNN Public

    Python 5 2

  5. Configurational-Disorder Configurational-Disorder Public

    Studying configurational disordering properties through graph neural networks

    Python 1

  6. Defect_GNN Defect_GNN Public

    leveraging persistent homology features to predict defect properties through graph neural networks

    Python 1 1

Repositories

Showing 9 of 9 repositories
  • OpenMX-workflow Public

    High-throughput calculation for OpenMX using atomate.

    qmatyanlab/OpenMX-workflow's past year of commit activity
    Python 0 MIT 1 0 0 Updated Jul 11, 2026
  • qmatyanlab/GNN_MC_Disordered_Magnets's past year of commit activity
    Python 1 MIT 0 0 0 Updated Jul 10, 2026
  • TSENN Public

    Implementation of Accurate Prediction of Tensorial Properties via an Equivariant Neural Network (TSENN)

    qmatyanlab/TSENN's past year of commit activity
    Jupyter Notebook 9 MIT 2 0 0 Updated Mar 8, 2026
  • Bandformer Public

    Implementation of Graph Transformer Networks for Accurate Band Structure Prediction: An End-to-End Approach

    qmatyanlab/Bandformer's past year of commit activity
    Python 8 MIT 1 1 0 Updated Feb 6, 2026
  • CHGCNN Public
    qmatyanlab/CHGCNN's past year of commit activity
    Python 8 0 0 0 Updated Oct 22, 2025
  • DisorderGNN Public
    qmatyanlab/DisorderGNN's past year of commit activity
    Python 5 2 0 0 Updated Jun 18, 2025
  • Defect_GNN Public

    leveraging persistent homology features to predict defect properties through graph neural networks

    qmatyanlab/Defect_GNN's past year of commit activity
    Python 1 1 0 0 Updated Jul 7, 2024
  • Configurational-Disorder Public

    Studying configurational disordering properties through graph neural networks

    qmatyanlab/Configurational-Disorder's past year of commit activity
    Python 1 0 0 0 Updated Jul 5, 2024
  • DFCL Public

    Incorporation of density scaling constraint in density functional design via contrastive representation learning implemented in PyTorch.

    qmatyanlab/DFCL's past year of commit activity
    Python 0 MIT 0 0 0 Updated Oct 12, 2022

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