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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: index
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+ dtype: int64
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+ - name: A
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+ dtype: float64
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+ - name: B
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+ dtype: float64
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+ - name: C
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+ dtype: float64
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+ - name: mu
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+ dtype: float64
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+ - name: alpha
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+ dtype: float64
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+ - name: homo
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+ dtype: float64
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+ - name: lumo
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+ dtype: float64
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+ - name: gap
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+ dtype: float64
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+ - name: r2
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+ dtype: float64
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+ - name: zpve
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+ dtype: float64
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+ - name: U0
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+ dtype: float64
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+ - name: U
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+ dtype: float64
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+ - name: H
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+ dtype: float64
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+ - name: G
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+ dtype: float64
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+ - name: Cv
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+ dtype: float64
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+ - name: smiles1
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+ dtype: string
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+ - name: smiles2
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+ dtype: string
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+ - name: isSmilesEqual
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+ dtype: bool
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+ splits:
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+ - name: train
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+ num_bytes: 22472564
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+ num_examples: 128885
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+ - name: test
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+ num_bytes: 871974
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+ num_examples: 5000
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+ download_size: 20763826
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+ dataset_size: 23344538
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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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+ - split: test
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+ path: data/test-*
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+ ---
data/test-00000-of-00001.parquet ADDED
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+ version https://git-lfs.github.com/spec/v1
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+ size 781632
data/train-00000-of-00001.parquet ADDED
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+ version https://git-lfs.github.com/spec/v1
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+ size 19982194