Upload dataset
Browse files- README.md +65 -1
- unique_pbesol/train-00000-of-00001.parquet +3 -0
README.md
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---
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dataset_info:
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-
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features:
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- name: elements
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sequence: string
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@@ -60,9 +60,73 @@ dataset_info:
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num_examples: 5005017
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download_size: 2956223586
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dataset_size: 7680710235
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configs:
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- config_name: unique_pbe
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data_files:
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- split: train
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path: unique_pbe/train-*
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---
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---
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dataset_info:
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- config_name: unique_pbe
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features:
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- name: elements
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sequence: string
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num_examples: 5005017
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download_size: 2956223586
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dataset_size: 7680710235
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- config_name: unique_pbesol
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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: magnetic_moments
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sequence: float64
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- name: forces
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sequence:
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sequence: float64
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- name: total_magnetization
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dtype: float64
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- name: dos_ef
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dtype: 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: entalpic_fingerprint
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dtype: string
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splits:
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- name: train
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num_bytes: 29416200
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num_examples: 15753
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download_size: 14230817
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dataset_size: 29416200
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configs:
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- config_name: unique_pbe
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data_files:
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- split: train
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path: unique_pbe/train-*
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- config_name: unique_pbesol
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data_files:
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- split: train
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path: unique_pbesol/train-*
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---
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unique_pbesol/train-00000-of-00001.parquet
ADDED
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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 sha256:20e586ae8d4995a8322cce36556aaec024d464146f025e2c7b1c1e1f2d7728ec
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size 14230817
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