Hugging Face's logo

Datasets:
Entalpic
/
LeMat-Ads-H-unknown_data

Modalities:
Tabular
Text
Formats:
parquet
Size:
10K - 100K
Libraries:
Datasets
pandas
Dataset card Data Studio Files
xet
 Community
amandinerossello commited on
Commit
9d83b75
·
verified ·
1 Parent(s): 5f7bf75

Upload dataset

Browse files
Files changed (2) hide show
  1. README.md +249 -0
  2. data/train-00000-of-00001.parquet +3 -0
README.md ADDED
@@ -0,0 +1,249 @@
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
1
+ ---
2
+ dataset_info:
3
+ features:
4
+ - name: publication
5
+ dtype: string
6
+ - name: equation
7
+ dtype: string
8
+ - name: reaction_energy
9
+ dtype: float64
10
+ - name: miller_index
11
+ list: float64
12
+ - name: sites
13
+ dtype: string
14
+ - name: other_structure
15
+ list:
16
+ - name: cartesian_site_positions
17
+ list:
18
+ list: float64
19
+ - name: chemical_formula_anonymous
20
+ dtype: string
21
+ - name: chemical_formula_descriptive
22
+ dtype: string
23
+ - name: chemical_formula_reduced
24
+ dtype: string
25
+ - name: dimension_types
26
+ list: int64
27
+ - name: elements
28
+ list: string
29
+ - name: elements_ratios
30
+ list: float64
31
+ - name: immutable_id
32
+ dtype: string
33
+ - name: lattice_vectors
34
+ list:
35
+ list: float64
36
+ - name: nelements
37
+ dtype: int64
38
+ - name: nperiodic_dimensions
39
+ dtype: int64
40
+ - name: nsites
41
+ dtype: int64
42
+ - name: species
43
+ list:
44
+ - name: attached
45
+ dtype: 'null'
46
+ - name: chemical_symbols
47
+ list: string
48
+ - name: concentration
49
+ list: int64
50
+ - name: mass
51
+ dtype: 'null'
52
+ - name: name
53
+ dtype: string
54
+ - name: nattached
55
+ dtype: 'null'
56
+ - name: original_name
57
+ dtype: 'null'
58
+ - name: species_at_sites
59
+ list: string
60
+ - name: system_name
61
+ dtype: string
62
+ - name: other_structure_energy
63
+ list: float64
64
+ - name: reactant_slab
65
+ list:
66
+ - name: cartesian_site_positions
67
+ list:
68
+ list: float64
69
+ - name: chemical_formula_anonymous
70
+ dtype: string
71
+ - name: chemical_formula_descriptive
72
+ dtype: string
73
+ - name: chemical_formula_reduced
74
+ dtype: string
75
+ - name: dimension_types
76
+ list: int64
77
+ - name: elements
78
+ list: string
79
+ - name: elements_ratios
80
+ list: float64
81
+ - name: immutable_id
82
+ dtype: string
83
+ - name: lattice_vectors
84
+ list:
85
+ list: float64
86
+ - name: nelements
87
+ dtype: int64
88
+ - name: nperiodic_dimensions
89
+ dtype: int64
90
+ - name: nsites
91
+ dtype: int64
92
+ - name: species
93
+ list:
94
+ - name: attached
95
+ dtype: 'null'
96
+ - name: chemical_symbols
97
+ list: string
98
+ - name: concentration
99
+ list: int64
100
+ - name: mass
101
+ dtype: 'null'
102
+ - name: name
103
+ dtype: string
104
+ - name: nattached
105
+ dtype: 'null'
106
+ - name: original_name
107
+ dtype: 'null'
108
+ - name: species_at_sites
109
+ list: string
110
+ - name: system_name
111
+ dtype: string
112
+ - name: reactant_slab_energy
113
+ list: float64
114
+ - name: product_slab
115
+ list: 'null'
116
+ - name: product_slab_energy
117
+ list: float64
118
+ - name: reactant_molecule
119
+ list:
120
+ - name: cartesian_site_positions
121
+ list:
122
+ list: float64
123
+ - name: chemical_formula_anonymous
124
+ dtype: string
125
+ - name: chemical_formula_descriptive
126
+ dtype: string
127
+ - name: chemical_formula_reduced
128
+ dtype: string
129
+ - name: dimension_types
130
+ list: int64
131
+ - name: elements
132
+ list: string
133
+ - name: elements_ratios
134
+ list: float64
135
+ - name: immutable_id
136
+ dtype: string
137
+ - name: lattice_vectors
138
+ list:
139
+ list: float64
140
+ - name: nelements
141
+ dtype: int64
142
+ - name: nperiodic_dimensions
143
+ dtype: int64
144
+ - name: nsites
145
+ dtype: int64
146
+ - name: species
147
+ list:
148
+ - name: attached
149
+ dtype: 'null'
150
+ - name: chemical_symbols
151
+ list: string
152
+ - name: concentration
153
+ list: int64
154
+ - name: mass
155
+ dtype: 'null'
156
+ - name: name
157
+ dtype: string
158
+ - name: nattached
159
+ dtype: 'null'
160
+ - name: original_name
161
+ dtype: 'null'
162
+ - name: species_at_sites
163
+ list: string
164
+ - name: system_name
165
+ dtype: string
166
+ - name: reactant_molecule_energy
167
+ list: float64
168
+ - name: product_molecule
169
+ list: 'null'
170
+ - name: product_molecule_energy
171
+ list: float64
172
+ - name: reactant_adslab
173
+ list: 'null'
174
+ - name: reactant_adslab_energy
175
+ list: float64
176
+ - name: product_adslab
177
+ list:
178
+ - name: cartesian_site_positions
179
+ list:
180
+ list: float64
181
+ - name: chemical_formula_anonymous
182
+ dtype: string
183
+ - name: chemical_formula_descriptive
184
+ dtype: string
185
+ - name: chemical_formula_reduced
186
+ dtype: string
187
+ - name: dimension_types
188
+ list: int64
189
+ - name: elements
190
+ list: string
191
+ - name: elements_ratios
192
+ list: float64
193
+ - name: immutable_id
194
+ dtype: string
195
+ - name: lattice_vectors
196
+ list:
197
+ list: float64
198
+ - name: nelements
199
+ dtype: int64
200
+ - name: nperiodic_dimensions
201
+ dtype: int64
202
+ - name: nsites
203
+ dtype: int64
204
+ - name: species
205
+ list:
206
+ - name: attached
207
+ dtype: 'null'
208
+ - name: chemical_symbols
209
+ list: string
210
+ - name: concentration
211
+ list: int64
212
+ - name: mass
213
+ dtype: 'null'
214
+ - name: name
215
+ dtype: string
216
+ - name: nattached
217
+ dtype: 'null'
218
+ - name: original_name
219
+ dtype: 'null'
220
+ - name: species_at_sites
221
+ list: string
222
+ - name: system_name
223
+ dtype: string
224
+ - name: product_adslab_energy
225
+ list: float64
226
+ - name: reactant_other
227
+ list: 'null'
228
+ - name: reactant_other_energy
229
+ list: 'null'
230
+ - name: product_other
231
+ list: 'null'
232
+ - name: product_other_energy
233
+ list: 'null'
234
+ - name: __index_level_0__
235
+ dtype: int64
236
+ - name: processed_reaction_energy
237
+ dtype: float64
238
+ splits:
239
+ - name: train
240
+ num_bytes: 41758359
241
+ num_examples: 13513
242
+ download_size: 9523918
243
+ dataset_size: 41758359
244
+ configs:
245
+ - config_name: default
246
+ data_files:
247
+ - split: train
248
+ path: data/train-*
249
+ ---
data/train-00000-of-00001.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
1
+ version https://git-lfs.github.com/spec/v1
2
+ oid sha256:078ef100f5deaf3260df9237463c3f0f58e3c9afc7dcfa4a34e0f32a540022f6
3
+ size 9523918