Upload dataset
Browse files- README.md +4 -6
- data/{train-00000-of-00021.parquet → train-00000-of-00011.parquet} +2 -2
- data/{train-00001-of-00021.parquet → train-00001-of-00011.parquet} +2 -2
- data/{train-00002-of-00021.parquet → train-00002-of-00011.parquet} +2 -2
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- data/train-00004-of-00011.parquet +3 -0
- data/train-00004-of-00021.parquet +0 -3
- data/train-00005-of-00011.parquet +3 -0
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README.md
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license: mit
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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: large_string
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- name: molecular_formula
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dtype: large_string
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splits:
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- name: train
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num_bytes:
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num_examples:
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download_size:
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dataset_size:
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configs:
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- config_name: default
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data_files:
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license: mit
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dataset_info:
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features:
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- name: smiles
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dtype: large_string
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- name: molecular_formula
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dtype: large_string
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splits:
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- name: train
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num_bytes: 5493103014
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num_examples: 82335768
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download_size: 1868663963
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dataset_size: 5493103014
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configs:
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- config_name: default
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data_files:
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data/{train-00000-of-00021.parquet → train-00000-of-00011.parquet}
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