n0w0f commited on
Commit
56268a5
·
verified ·
1 Parent(s): bf4bf99

Upload dataset

Browse files
README.md CHANGED
@@ -53,6 +53,57 @@ dataset_info:
53
  num_examples: 21114
54
  download_size: 112143554
55
  dataset_size: 324334050
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
56
  - config_name: formenergy
57
  features:
58
  - name: mbid
@@ -325,6 +376,12 @@ configs:
325
  path: bandgap/train-*
326
  - split: test
327
  path: bandgap/test-*
 
 
 
 
 
 
328
  - config_name: formenergy
329
  data_files:
330
  - split: train
 
53
  num_examples: 21114
54
  download_size: 112143554
55
  dataset_size: 324334050
56
+ - config_name: dielectric
57
+ features:
58
+ - name: mbid
59
+ dtype: string
60
+ - name: cif_p1
61
+ dtype: string
62
+ - name: cif_symmetrized
63
+ dtype: string
64
+ - name: zmatrix
65
+ dtype: string
66
+ - name: atoms
67
+ dtype: string
68
+ - name: atom_sequences_plusplus
69
+ dtype: string
70
+ - name: composition
71
+ dtype: string
72
+ - name: slices
73
+ dtype: string
74
+ - name: crystal_text_llm
75
+ dtype: string
76
+ - name: composition_energy
77
+ dtype: float64
78
+ - name: geometry_energy
79
+ dtype: float64
80
+ - name: composition_energy_normalized
81
+ dtype: float64
82
+ - name: geometry_energy_normalized
83
+ dtype: float64
84
+ - name: total_energy_alpha_0
85
+ dtype: float64
86
+ - name: total_energy_alpha_0.2
87
+ dtype: float64
88
+ - name: total_energy_alpha_0.4
89
+ dtype: float64
90
+ - name: total_energy_alpha_0.5
91
+ dtype: float64
92
+ - name: total_energy_alpha_0.6
93
+ dtype: float64
94
+ - name: total_energy_alpha_0.8
95
+ dtype: float64
96
+ - name: total_energy_alpha_1
97
+ dtype: float64
98
+ splits:
99
+ - name: train
100
+ num_bytes: 9132306
101
+ num_examples: 2925
102
+ - name: test
103
+ num_bytes: 2252191
104
+ num_examples: 709
105
+ download_size: 3950527
106
+ dataset_size: 11384497
107
  - config_name: formenergy
108
  features:
109
  - name: mbid
 
376
  path: bandgap/train-*
377
  - split: test
378
  path: bandgap/test-*
379
+ - config_name: dielectric
380
+ data_files:
381
+ - split: train
382
+ path: dielectric/train-*
383
+ - split: test
384
+ path: dielectric/test-*
385
  - config_name: formenergy
386
  data_files:
387
  - split: train
dielectric/test-00000-of-00001.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:e415518d2174e09b2e18a0e4ed5458f4c567c9a983475c3a8e103399cbea2aa2
3
+ size 805898
dielectric/train-00000-of-00001.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:5d69c07f4b2c0ddae7aaad34867f8aff90370a397a86fa4fa3adc41bf3a7804c
3
+ size 3144629