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Pinned

  1. IntelLabs/matsciml IntelLabs/matsciml Public

    Open MatSci ML Toolkit is a framework for prototyping and scaling out deep learning models for materials discovery supporting widely used materials science datasets, and built on top of PyTorch Lig…

    Python 130 17

  2. Hexagonal_frame_with_rigid_slab_analysis Hexagonal_frame_with_rigid_slab_analysis Public

    Structural analysis of a three dimensional single storey hexagonal frame with rigid slab

    MATLAB 1

  3. StriderNET StriderNET Public

    Python 1

  4. M3RG-IITD/ML-DOS M3RG-IITD/ML-DOS Public

    Implementation of unsupervised GNN (GraphSAGE) to generate node representations for disordered systems. OPTICS clustering of obtained node embeddings reveals structure-dynamics correlation.

    Jupyter Notebook 8

  5. M3RG-IITD/MDBENCHGNN M3RG-IITD/MDBENCHGNN Public

    Python 8

  6. M3RG-IITD/StriderNET M3RG-IITD/StriderNET Public

    Striding through the energy landscape

    Jupyter Notebook 2