ChEMBL-raw / README.md
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metadata
dataset_info:
  features:
    - name: SMILES
      dtype: string
    - name: Deep SMILES
      dtype: string
    - name: SELFIES
      dtype: string
    - name: SAFE
      dtype: string
    - name: Group SELFIES
      dtype: string
  splits:
    - name: train
      num_bytes: 1277013174.2864683
      num_examples: 1803209
    - name: valid
      num_bytes: 159626558.2621561
      num_examples: 225401
    - name: test
      num_bytes: 159627266.4513756
      num_examples: 225402
  download_size: 417828111
  dataset_size: 1596266999
configs:
  - config_name: default
    data_files:
      - split: train
        path: data/train-*
      - split: valid
        path: data/valid-*
      - split: test
        path: data/test-*