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Upload dataset

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README.md CHANGED
@@ -12,6 +12,44 @@ tags:
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  - vdw
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  - valence
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  - chemistry
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  ---
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  - vdw
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  - valence
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  - chemistry
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+ dataset_info:
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+ config_name: metadata
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+ features:
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+ - name: OMol25_data_id
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+ dtype: string
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+ - name: OMol25_id
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+ dtype: int64
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+ - name: OMol25_split
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+ dtype: string
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+ - name: OpenFF_id
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+ dtype: int64
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+ - name: formula
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+ dtype: string
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+ - name: charge
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+ dtype: int64
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+ - name: OpenFF_Elements
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+ dtype: bool
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+ - name: OpenFF_abs(q)<=1
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+ dtype: bool
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+ - name: OpenFF_spin=1
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+ dtype: bool
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+ - name: smiles
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+ dtype: string
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+ - name: source
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+ dtype: string
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+ - name: lowdin_charges
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+ list: float64
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+ splits:
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+ - name: train
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+ num_bytes: 7385492795
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+ num_examples: 8327720
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+ download_size: 4483720007
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+ dataset_size: 7385492795
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+ configs:
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+ - config_name: metadata
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+ data_files:
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+ - split: train
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+ path: metadata/train-*
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  ---
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