Upload dataset
Browse files- README.md +62 -0
- compatible_scan/train-00000-of-00001.parquet +3 -0
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:
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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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---
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compatible_scan/train-00000-of-00001.parquet
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@@ -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
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