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--- |
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dataset_info: |
|
|
- config_name: compounds |
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features: |
|
|
- name: CID |
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|
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 |
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|
splits: |
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|
- name: train |
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|
num_bytes: 997202779 |
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|
num_examples: 2087164 |
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|
download_size: 394262919 |
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|
dataset_size: 997202779 |
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|
- config_name: descriptions |
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|
features: |
|
|
- name: CID |
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|
dtype: int64 |
|
|
- name: Title |
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|
dtype: string |
|
|
- name: Description |
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|
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 |
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|
dataset_size: 257707353 |
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|
configs: |
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- config_name: compounds |
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|
data_files: |
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|
- split: train |
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path: compounds/train-* |
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- config_name: descriptions |
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|
data_files: |
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|
- split: train |
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path: descriptions/train-* |
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license: cc-by-nc-4.0 |
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--- |
