├── Combine_graph_dataset.ipynb ├── GNN_train_predict.ipynb ├── README.md ├── environment.yml ├── examples ├── graph_data │ └── dataset_1_to_2.pkl ├── material_property_data │ └── stiffness_90.dat ├── saved_GNN_model │ ├── Test_B1_B2_FB1_FB2_excluded_subcube_150_R2_K.png │ ├── Test_B1_B2_FB1_FB2_excluded_subcube_150_R2_mu.png │ ├── Test_CG_excluded_subcube_150_R2_K.png │ ├── Test_CG_excluded_subcube_150_R2_mu.png │ ├── Test_CG_excluded_subcube_90_100_180_R2_K.png │ ├── Test_CG_excluded_subcube_90_100_180_R2_mu.png │ ├── epoch_200.png │ └── epoch_200.pt └── voxel_img_data │ ├── Rock_90_1.raw │ └── Rock_90_2.raw ├── mapper_DFS.ipynb ├── mapper_DFS.py ├── readme_figs ├── Workflow.png └── mapper_voxel2graph.png ├── train_predict.py └── utils ├── GNN_data.py ├── GNN_model.py ├── __init__.py ├── __pycache__ ├── GNN_data.cpython-39.pyc ├── GNN_model.cpython-39.pyc ├── __init__.cpython-39.pyc ├── combine_graph_dataset.cpython-39.pyc ├── construct_graph_dataset.cpython-39.pyc ├── evaluate_model.cpython-39.pyc ├── mapper_DFS.DFS_3d_nopbc-49.py39.1.nbc ├── mapper_DFS.DFS_3d_nopbc-49.py39.2.nbc ├── mapper_DFS.DFS_3d_nopbc-49.py39.nbi ├── mapper_DFS.DFS_3d_nopbc-61.py39.1.nbc ├── mapper_DFS.DFS_3d_nopbc-61.py39.2.nbc ├── mapper_DFS.DFS_3d_nopbc-61.py39.nbi ├── mapper_DFS.cpython-39.pyc ├── mapper_DFS.find_cluster_3d_nopbc-28.py39.1.nbc ├── mapper_DFS.find_cluster_3d_nopbc-28.py39.2.nbc ├── mapper_DFS.find_cluster_3d_nopbc-28.py39.nbi ├── mapper_DFS.find_cluster_3d_nopbc-40.py39.1.nbc ├── mapper_DFS.find_cluster_3d_nopbc-40.py39.2.nbc ├── mapper_DFS.find_cluster_3d_nopbc-40.py39.nbi ├── train_model.cpython-39.pyc └── visualize_voxel_to_graph.cpython-39.pyc ├── combine_graph_dataset.py ├── construct_graph_dataset.py ├── evaluate_model.py ├── mapper_DFS.py ├── train_model.py └── visualize_voxel_to_graph.py /Combine_graph_dataset.ipynb: -------------------------------------------------------------------------------- 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