chemnlp-robocrys / README.md
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metadata
dataset_info:
  features:
    - name: formula
      dtype: string
    - name: spg_symbol
      dtype: string
    - name: crystal_system
      dtype: string
    - name: dimensionality
      dtype: int64
    - name: gga_gga+u_r2scan_energy_above_hull
      dtype: 'null'
    - name: gga_gga+u_r2scan_formation_energy_per_atom
      dtype: 'null'
    - name: gga_gga+u_energy_above_hull
      dtype: 'null'
    - name: gga_gga+u_formation_energy_per_atom
      dtype: 'null'
    - name: description
      dtype: string
    - name: description_w_bondlengths
      dtype: string
    - name: cifstr
      dtype: string
  splits:
    - name: train
      num_bytes: 785364472
      num_examples: 117576
  download_size: 185853489
  dataset_size: 785364472

Dataset Card for "chemnlp-robocrys"

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