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--- |
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dataset_info: |
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features: |
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- name: publication |
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dtype: string |
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- name: equation |
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dtype: string |
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- name: reaction_energy |
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dtype: 'null' |
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- name: activation_energy |
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dtype: 'null' |
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- name: other_structure |
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sequence: 'null' |
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- name: other_structure_energy |
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sequence: 'null' |
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- name: reactant_slab |
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list: |
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- name: cartesian_site_positions |
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sequence: |
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sequence: float64 |
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- name: chemical_formula_anonymous |
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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: chemical_formula_reduced |
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dtype: string |
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- name: dimension_types |
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sequence: int64 |
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- name: elements |
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sequence: string |
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- name: elements_ratios |
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sequence: float64 |
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- name: lattice_vectors |
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sequence: |
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sequence: float64 |
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- name: nelements |
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dtype: int64 |
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- name: nperiodic_dimensions |
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dtype: int64 |
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dtype: int64 |
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- name: species |
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list: |
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- name: attached |
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dtype: 'null' |
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- name: chemical_symbols |
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sequence: string |
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- name: concentration |
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sequence: int64 |
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- name: mass |
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dtype: 'null' |
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- name: name |
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dtype: string |
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- name: nattached |
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dtype: 'null' |
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- name: original_name |
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dtype: 'null' |
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- name: species_at_sites |
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sequence: string |
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- name: system_name |
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dtype: string |
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- name: reactant_slab_energy |
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sequence: 'null' |
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- name: product_slab |
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sequence: 'null' |
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- name: product_slab_energy |
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sequence: 'null' |
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- name: reactant_molecule |
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list: |
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- name: cartesian_site_positions |
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sequence: |
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sequence: float64 |
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- name: chemical_formula_anonymous |
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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: chemical_formula_reduced |
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dtype: string |
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- name: dimension_types |
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sequence: int64 |
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- name: elements |
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sequence: string |
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- name: elements_ratios |
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sequence: float64 |
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- name: lattice_vectors |
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sequence: |
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sequence: float64 |
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- name: nelements |
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dtype: int64 |
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dtype: int64 |
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- name: species |
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list: |
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- name: attached |
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dtype: 'null' |
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sequence: string |
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- name: concentration |
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sequence: int64 |
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- name: mass |
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dtype: 'null' |
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- name: name |
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dtype: string |
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- name: nattached |
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dtype: 'null' |
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- name: original_name |
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dtype: 'null' |
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- name: species_at_sites |
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sequence: string |
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- name: system_name |
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dtype: string |
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- name: reactant_molecule_energy |
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sequence: 'null' |
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- name: product_molecule |
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sequence: 'null' |
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- name: product_molecule_energy |
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sequence: 'null' |
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- name: reactant_adslab |
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sequence: 'null' |
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- name: reactant_adslab_energy |
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sequence: 'null' |
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- name: product_adslab |
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list: |
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- name: cartesian_site_positions |
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sequence: |
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sequence: float64 |
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- name: chemical_formula_anonymous |
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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: chemical_formula_reduced |
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dtype: string |
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- name: dimension_types |
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sequence: int64 |
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- name: elements |
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sequence: string |
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- name: elements_ratios |
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sequence: float64 |
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- name: lattice_vectors |
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sequence: |
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sequence: float64 |
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- name: nelements |
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dtype: int64 |
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- name: nperiodic_dimensions |
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dtype: int64 |
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- name: nsites |
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dtype: int64 |
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- name: species |
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list: |
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- name: attached |
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dtype: 'null' |
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- name: chemical_symbols |
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sequence: string |
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- name: concentration |
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sequence: int64 |
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- name: mass |
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dtype: 'null' |
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- name: name |
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dtype: string |
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- name: nattached |
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dtype: 'null' |
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- name: original_name |
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dtype: 'null' |
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- name: species_at_sites |
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sequence: string |
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- name: system_name |
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dtype: string |
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- name: product_adslab_energy |
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sequence: float64 |
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- name: reactant_other |
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sequence: 'null' |
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- name: reactant_other_energy |
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sequence: 'null' |
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- name: product_other |
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sequence: 'null' |
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- name: product_other_energy |
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sequence: 'null' |
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- name: miller_index |
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sequence: int64 |
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- name: sites |
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struct: |
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- name: shift |
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dtype: float64 |
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- name: sites_coords |
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sequence: |
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sequence: float64 |
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- name: top |
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dtype: bool |
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- name: other_reactants |
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sequence: 'null' |
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- name: other_products |
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sequence: 'null' |
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splits: |
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- name: train |
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num_bytes: 5010411753 |
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num_examples: 770010 |
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|
download_size: 1975732122 |
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dataset_size: 5010411753 |
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configs: |
|
|
- config_name: default |
|
|
data_files: |
|
|
- split: train |
|
|
path: data/train-* |
|
|
--- |
|
|
|
