File size: 5,736 Bytes
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dataset_info:
features:
- name: publication
dtype: string
- name: equation
dtype: string
- name: reaction_energy
dtype: float64
- name: miller_index
sequence: int64
- name: sites
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- name: other_structure
list:
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sequence:
sequence: float64
- name: chemical_formula_anonymous
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- name: chemical_formula_descriptive
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- name: chemical_formula_reduced
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sequence: int64
- name: elements
sequence: string
- name: elements_ratios
sequence: float64
- name: immutable_id
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sequence:
sequence: float64
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- name: nperiodic_dimensions
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- name: nsites
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- name: species
list:
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dtype: 'null'
- name: chemical_symbols
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- name: mass
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sequence: string
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- name: reactant_slab
list:
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sequence:
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- name: elements
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- name: immutable_id
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- name: lattice_vectors
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- name: product_slab_energy
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- name: reactant_molecule
list:
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sequence:
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- name: reactant_molecule_energy
sequence: float64
- name: product_molecule
sequence: 'null'
- name: product_molecule_energy
sequence: 'null'
- name: reactant_adslab
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sequence: 'null'
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list:
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sequence:
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- name: chemical_formula_anonymous
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- name: chemical_formula_descriptive
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- name: elements
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- name: lattice_vectors
sequence:
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- name: nelements
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- name: nperiodic_dimensions
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list:
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sequence: string
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- name: product_adslab_energy
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- name: reactant_other
sequence: 'null'
- name: reactant_other_energy
sequence: 'null'
- name: product_other
sequence: 'null'
- name: product_other_energy
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splits:
- name: train
num_bytes: 3907860453
num_examples: 728192
download_size: 1931954306
dataset_size: 3907860453
configs:
- config_name: default
data_files:
- split: train
path: data/train-*
---
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