unimol_pretrain / README.md
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metadata
dataset_info:
  features:
    - name: conf_id
      dtype: int64
    - name: coords
      dtype: string
    - name: smiles
      dtype: string
    - name: key
      dtype: string
    - name: origin
      dtype: string
    - name: subset
      dtype: string
  splits:
    - name: train
      num_bytes: 12352407589
      num_examples: 20000000
    - name: validation
      num_bytes: 610934184
      num_examples: 988440
  download_size: 6546336881
  dataset_size: 12963341773
configs:
  - config_name: default
    data_files:
      - split: train
        path: data/train-*
      - split: validation
        path: data/validation-*