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Upload dataset

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README.md ADDED
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+ ---
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+ dataset_info:
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+ features:
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+ - name: CID
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+ dtype: int64
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+ - name: SMILES
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+ dtype: string
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+ - name: SMILES_Canonical
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+ dtype: string
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+ - name: SELFIES
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+ dtype: string
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+ - name: inchi
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+ dtype: string
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+ - name: iupac
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+ dtype: string
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+ - name: formula
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+ dtype: string
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+ - name: image_source
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+ dtype: string
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+ - name: image_1
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+ dtype: image
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+ - name: image_2
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+ dtype: image
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+ - name: image_3
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+ dtype: image
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+ splits:
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+ - name: train
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+ num_bytes: 12138024966
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+ num_examples: 249642
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+ download_size: 11948997459
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+ dataset_size: 12138024966
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+ configs:
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+ - config_name: default
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+ data_files:
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+ - split: train
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+ path: data/train-*
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+ ---
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