├── GR_train_grid.pkl ├── LICENSE ├── README.md ├── TemperatureProfile3DAnalytic.py ├── create_datasets.py ├── data_loader.py ├── dist_train.py ├── extract_dz_grid.py ├── figures ├── paper_fig11.png └── paper_fig8.png ├── graph_datastruct.py ├── graph_trajectory.py ├── graphs ├── 120_120 │ ├── seed0_G10.0_R2.0_span6.pkl │ └── traj0.pkl.gz └── 40_40 │ ├── seed10020_G1.904_R0.558_span6.pkl │ └── traj10020.pkl.gz ├── heterogclstm.py ├── heteropgclstm.py ├── metrics.py ├── model ├── classifier1.pt ├── classifier1_logfile ├── regressor0.pt └── regressor0_logfile ├── models.py ├── param_stat.py ├── parameters.py ├── periodGATconv.py ├── periodconv.py ├── plots ├── QoI_conv.py ├── snapshots.py └── test_grid.py ├── rawdat_PF ├── 120_120 │ └── Epita_grains1043_nodes2086_frames120_lxd120.000008_G10.000_Rmax2.000_UC20.000_seed0_Mt10300_rank0.h5.gz └── 40_40 │ └── Epita_grains118_nodes236_frames120_G1.904_Rmax0.558_seed10020_Mt36920_train0_test1_rank0.h5.gz ├── requirements.txt ├── test.py ├── train.py ├── user_generate.py └── visualization3D ├── gen_plot.slurm ├── grain.py ├── grain_video.py ├── plot3d ├── pv_3Dview.py ├── threshold.py └── trans_vtk /GR_train_grid.pkl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/GR_train_grid.pkl -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/LICENSE -------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/README.md -------------------------------------------------------------------------------- /TemperatureProfile3DAnalytic.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/TemperatureProfile3DAnalytic.py -------------------------------------------------------------------------------- /create_datasets.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/create_datasets.py -------------------------------------------------------------------------------- /data_loader.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/data_loader.py -------------------------------------------------------------------------------- /dist_train.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/dist_train.py -------------------------------------------------------------------------------- /extract_dz_grid.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/extract_dz_grid.py -------------------------------------------------------------------------------- /figures/paper_fig11.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/figures/paper_fig11.png -------------------------------------------------------------------------------- /figures/paper_fig8.png: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/figures/paper_fig8.png -------------------------------------------------------------------------------- /graph_datastruct.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/graph_datastruct.py -------------------------------------------------------------------------------- /graph_trajectory.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/graph_trajectory.py -------------------------------------------------------------------------------- /graphs/120_120/seed0_G10.0_R2.0_span6.pkl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/graphs/120_120/seed0_G10.0_R2.0_span6.pkl -------------------------------------------------------------------------------- /graphs/120_120/traj0.pkl.gz: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/graphs/120_120/traj0.pkl.gz -------------------------------------------------------------------------------- /graphs/40_40/seed10020_G1.904_R0.558_span6.pkl: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/graphs/40_40/seed10020_G1.904_R0.558_span6.pkl -------------------------------------------------------------------------------- /graphs/40_40/traj10020.pkl.gz: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/graphs/40_40/traj10020.pkl.gz -------------------------------------------------------------------------------- /heterogclstm.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/heterogclstm.py -------------------------------------------------------------------------------- /heteropgclstm.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/heteropgclstm.py -------------------------------------------------------------------------------- /metrics.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/metrics.py -------------------------------------------------------------------------------- /model/classifier1.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/model/classifier1.pt -------------------------------------------------------------------------------- /model/classifier1_logfile: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/model/classifier1_logfile -------------------------------------------------------------------------------- /model/regressor0.pt: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/model/regressor0.pt -------------------------------------------------------------------------------- /model/regressor0_logfile: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/model/regressor0_logfile -------------------------------------------------------------------------------- /models.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/models.py -------------------------------------------------------------------------------- /param_stat.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/param_stat.py -------------------------------------------------------------------------------- /parameters.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/parameters.py -------------------------------------------------------------------------------- /periodGATconv.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/periodGATconv.py -------------------------------------------------------------------------------- /periodconv.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/periodconv.py -------------------------------------------------------------------------------- /plots/QoI_conv.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/plots/QoI_conv.py -------------------------------------------------------------------------------- /plots/snapshots.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/plots/snapshots.py -------------------------------------------------------------------------------- /plots/test_grid.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/plots/test_grid.py -------------------------------------------------------------------------------- /rawdat_PF/120_120/Epita_grains1043_nodes2086_frames120_lxd120.000008_G10.000_Rmax2.000_UC20.000_seed0_Mt10300_rank0.h5.gz: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/rawdat_PF/120_120/Epita_grains1043_nodes2086_frames120_lxd120.000008_G10.000_Rmax2.000_UC20.000_seed0_Mt10300_rank0.h5.gz -------------------------------------------------------------------------------- /rawdat_PF/40_40/Epita_grains118_nodes236_frames120_G1.904_Rmax0.558_seed10020_Mt36920_train0_test1_rank0.h5.gz: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/rawdat_PF/40_40/Epita_grains118_nodes236_frames120_G1.904_Rmax0.558_seed10020_Mt36920_train0_test1_rank0.h5.gz -------------------------------------------------------------------------------- /requirements.txt: -------------------------------------------------------------------------------- 1 | dill 2 | matplotlib 3 | shapely 4 | termcolor 5 | h5py 6 | -------------------------------------------------------------------------------- /test.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/test.py -------------------------------------------------------------------------------- /train.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/train.py -------------------------------------------------------------------------------- /user_generate.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/user_generate.py -------------------------------------------------------------------------------- /visualization3D/gen_plot.slurm: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/visualization3D/gen_plot.slurm -------------------------------------------------------------------------------- /visualization3D/grain.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/visualization3D/grain.py -------------------------------------------------------------------------------- /visualization3D/grain_video.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/visualization3D/grain_video.py -------------------------------------------------------------------------------- /visualization3D/plot3d: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/visualization3D/plot3d -------------------------------------------------------------------------------- /visualization3D/pv_3Dview.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/visualization3D/pv_3Dview.py -------------------------------------------------------------------------------- /visualization3D/threshold.py: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/visualization3D/threshold.py -------------------------------------------------------------------------------- /visualization3D/trans_vtk: -------------------------------------------------------------------------------- https://raw.githubusercontent.com/YigongQin/GrainGraphNN/HEAD/visualization3D/trans_vtk --------------------------------------------------------------------------------