lukaskim commited on
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Upload dataset

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README.md CHANGED
@@ -1,5 +1,37 @@
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  ---
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  dataset_info:
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  - config_name: molecules
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  features:
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  - name: chembl_id
@@ -37,6 +69,10 @@ dataset_info:
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  download_size: 9982611
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  dataset_size: 11931797
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  configs:
 
 
 
 
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  - config_name: molecules
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  data_files:
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  - split: train
 
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  ---
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  dataset_info:
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+ - config_name: molecule_target_pairs
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+ features:
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+ - name: chembl_id
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+ dtype: string
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+ - name: canonical_smiles
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+ dtype: string
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+ - name: target_chembl_id
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+ dtype: string
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+ - name: target_pref_name
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+ dtype: string
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+ - name: organism
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+ dtype: string
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+ - name: sequence
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+ dtype: string
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+ - name: standard_type
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+ dtype: string
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+ - name: standard_value
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+ dtype: float64
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+ - name: standard_units
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+ dtype: string
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+ - name: standard_relation
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+ dtype: string
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+ - name: pchembl_value
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+ dtype: float64
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+ - name: assay_type
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+ dtype: string
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+ splits:
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+ - name: train
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+ num_bytes: 3411642732
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+ num_examples: 3510018
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+ download_size: 227331970
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+ dataset_size: 3411642732
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  - config_name: molecules
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  features:
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  - name: chembl_id
 
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  download_size: 9982611
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  dataset_size: 11931797
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  configs:
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+ - config_name: molecule_target_pairs
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+ data_files:
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+ - split: train
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+ path: molecule_target_pairs/train-*
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  - config_name: molecules
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  data_files:
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  - split: train
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