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metadata
dataset_info:
  features:
    - name: molecule_index
      dtype: string
    - name: smiles
      dtype: string
    - name: formula
      dtype: string
    - name: ir_image
      dtype: image
    - name: mass_image
      dtype: image
    - name: h-nmr_image
      dtype: image
    - name: c-nmr_image
      dtype: image
    - name: hsqc_image
      dtype: image
  splits:
    - name: train
      num_bytes: 16115287573.52
      num_examples: 100380
  download_size: 14793213490
  dataset_size: 16115287573.52
configs:
  - config_name: default
    data_files:
      - split: train
        path: data/train-*