PubChem-Raw / README.md
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metadata
dataset_info:
  - config_name: compounds
    features:
      - name: CID
        dtype: int64
      - name: Title
        dtype: string
      - name: MolecularFormula
        dtype: string
      - name: IUPACName
        dtype: string
      - name: InChI
        dtype: string
      - name: SMILES
        dtype: string
      - name: Synonyms
        dtype: string
    splits:
      - name: train
        num_bytes: 997202779
        num_examples: 2087164
    download_size: 394262919
    dataset_size: 997202779
  - config_name: descriptions
    features:
      - name: CID
        dtype: int64
      - name: Title
        dtype: string
      - name: Description
        dtype: string
      - name: ReferenceNumber
        dtype: int64
      - name: SourceName
        dtype: string
      - name: SourceID
        dtype: string
      - name: ReferenceDescription
        dtype: string
      - name: URL
        dtype: string
    splits:
      - name: train
        num_bytes: 257707353
        num_examples: 408530
    download_size: 50671541
    dataset_size: 257707353
configs:
  - config_name: compounds
    data_files:
      - split: train
        path: compounds/train-*
  - config_name: descriptions
    data_files:
      - split: train
        path: descriptions/train-*