Ramlaoui commited on
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1 Parent(s): f0c2112

Upload dataset

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README.md CHANGED
@@ -116,6 +116,64 @@ dataset_info:
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  num_examples: 5276643
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  download_size: 3623906332
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  dataset_size: 18416093323
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  configs:
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  - config_name: compatible_pbe
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  data_files:
@@ -125,4 +183,8 @@ configs:
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  data_files:
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  - split: train
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  path: compatible_pbesol/train-*
 
 
 
 
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  ---
 
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  num_examples: 5276643
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  download_size: 3623906332
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  dataset_size: 18416093323
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+ - config_name: compatible_scan
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+ features:
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+ - name: elements
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+ sequence: string
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+ - name: nsites
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+ dtype: int32
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+ - name: chemical_formula_anonymous
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+ dtype: string
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+ - name: chemical_formula_reduced
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+ dtype: string
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+ - name: chemical_formula_descriptive
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+ dtype: string
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+ - name: nelements
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+ dtype: int8
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+ - name: dimension_types
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+ sequence: int8
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+ - name: nperiodic_dimensions
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+ dtype: int8
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+ - name: lattice_vectors
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+ sequence:
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+ sequence: float64
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+ - name: immutable_id
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+ dtype: string
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+ - name: cartesian_site_positions
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+ sequence:
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+ sequence: float64
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+ - name: species
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+ dtype: string
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+ - name: species_at_sites
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+ sequence: string
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+ - name: last_modified
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+ dtype: string
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+ - name: elements_ratios
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+ sequence: float64
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+ - name: stress_tensor
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+ sequence:
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+ sequence: float64
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+ - name: energy
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+ dtype: float64
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+ - name: forces
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+ sequence:
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+ sequence: float64
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+ - name: functional
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+ dtype: string
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+ - name: cross_compatibility
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+ dtype: bool
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+ - name: id
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+ dtype: string
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+ - name: relaxation_step
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+ dtype: int32
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+ - name: relaxation_number
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+ dtype: int32
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+ splits:
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+ - name: train
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+ num_bytes: 341406968
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+ num_examples: 155923
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+ download_size: 183380018
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+ dataset_size: 341406968
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  configs:
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  - config_name: compatible_pbe
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  data_files:
 
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  data_files:
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  - split: train
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  path: compatible_pbesol/train-*
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+ - config_name: compatible_scan
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+ data_files:
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+ - split: train
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+ path: compatible_scan/train-*
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  ---
compatible_scan/train-00000-of-00001.parquet ADDED
@@ -0,0 +1,3 @@
 
 
 
 
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+ version https://git-lfs.github.com/spec/v1
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+ oid sha256:6571e5a9bf940240548fff1d4488d692fdbbda6d65016f478028f1b1478922ce
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+ size 183380018