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- crystal_graph.py 161 additions, 0 deletionscrystal_graph.py
- data/all.csv 3001 additions, 0 deletionsdata/all.csv
- data/formation_energy_file_sort_test 600 additions, 0 deletionsdata/formation_energy_file_sort_test
- data/formation_energy_file_sort_train 2400 additions, 0 deletionsdata/formation_energy_file_sort_train
- data/fundamental_gap_file_sort_test 600 additions, 0 deletionsdata/fundamental_gap_file_sort_test
- data/fundamental_gap_file_sort_train 2400 additions, 0 deletionsdata/fundamental_gap_file_sort_train
- data/labeled_test.csv 601 additions, 0 deletionsdata/labeled_test.csv
- data/models/ngram.npz 0 additions, 0 deletionsdata/models/ngram.npz
- data/models/soap.npz 0 additions, 0 deletionsdata/models/soap.npz
- data/original_Kaggle/test.csv 601 additions, 0 deletionsdata/original_Kaggle/test.csv
- data/original_Kaggle/test/1/geometry.xyz 86 additions, 0 deletionsdata/original_Kaggle/test/1/geometry.xyz
- data/original_Kaggle/test/10/geometry.xyz 86 additions, 0 deletionsdata/original_Kaggle/test/10/geometry.xyz
- data/original_Kaggle/test/100/geometry.xyz 26 additions, 0 deletionsdata/original_Kaggle/test/100/geometry.xyz
- data/original_Kaggle/test/101/geometry.xyz 86 additions, 0 deletionsdata/original_Kaggle/test/101/geometry.xyz
- data/original_Kaggle/test/102/geometry.xyz 26 additions, 0 deletionsdata/original_Kaggle/test/102/geometry.xyz
- data/original_Kaggle/test/103/geometry.xyz 86 additions, 0 deletionsdata/original_Kaggle/test/103/geometry.xyz
- data/original_Kaggle/test/104/geometry.xyz 46 additions, 0 deletionsdata/original_Kaggle/test/104/geometry.xyz
- data/original_Kaggle/test/105/geometry.xyz 46 additions, 0 deletionsdata/original_Kaggle/test/105/geometry.xyz
- data/original_Kaggle/test/106/geometry.xyz 36 additions, 0 deletionsdata/original_Kaggle/test/106/geometry.xyz
- data/original_Kaggle/test/107/geometry.xyz 36 additions, 0 deletionsdata/original_Kaggle/test/107/geometry.xyz
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