Pinned Loading

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 164 25

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 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 11

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

   Striding through the energy landscape

   Jupyter Notebook 2