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wanglab
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delbert_data

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armansa1 commited on
Commit
00bdf55
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1 Parent(s): ef39a78

Upload dataset

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Files changed (5) hide show
  1. README.md +56 -0
  2. WDR91_test/train-00000-of-00004.parquet +3 -0
  3. WDR91_test/train-00001-of-00004.parquet +3 -0
  4. WDR91_test/train-00002-of-00004.parquet +3 -0
  5. WDR91_test/train-00003-of-00004.parquet +3 -0
README.md CHANGED
@@ -270,6 +270,58 @@ dataset_info:
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  num_examples: 375595
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  download_size: 1265745132
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  dataset_size: 3084455761
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
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  configs:
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  - config_name: DCAF7
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  data_files:
@@ -291,4 +343,8 @@ configs:
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  data_files:
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  - split: train
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  path: WDR91/train-*
 
 
 
 
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  ---
 
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  num_examples: 375595
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  download_size: 1265745132
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  dataset_size: 3084455761
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+ - config_name: WDR91_test
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+ features:
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+ - name: RandomID
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+ dtype: string
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+ - name: SMILES
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+ dtype: string
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+ - name: MW
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+ dtype: float32
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+ - name: AlogP
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+ dtype: float32
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+ - name: ECFP4_indices
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+ list: uint16
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+ - name: ECFP4_values
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+ list: uint16
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+ - name: ECFP6_indices
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+ list: uint16
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+ - name: ECFP6_values
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+ list: uint16
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+ - name: FCFP4_indices
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+ list: uint16
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+ - name: FCFP4_values
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+ list: uint16
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+ - name: FCFP6_indices
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+ list: uint16
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+ - name: FCFP6_values
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+ list: uint16
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+ - name: MACCS_indices
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+ list: uint16
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+ - name: MACCS_values
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+ list: uint16
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+ - name: RDK_indices
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+ list: uint16
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+ - name: RDK_values
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+ list: uint16
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+ - name: AVALON_indices
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+ list: uint16
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+ list: uint16
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+ - name: ATOMPAIR_indices
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+ - name: ATOMPAIR_values
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+ list: uint16
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+ - name: TOPTOR_indices
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+ list: uint16
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+ - name: TOPTOR_values
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+ list: uint16
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+ splits:
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+ - name: train
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+ num_bytes: 1994680534
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+ num_examples: 339258
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+ download_size: 813330958
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+ dataset_size: 1994680534
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  configs:
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  - config_name: DCAF7
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  data_files:
 
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  data_files:
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  - split: train
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  path: WDR91/train-*
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+ - config_name: WDR91_test
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+ data_files:
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+ - split: train
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+ path: WDR91_test/train-*
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  ---
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WDR91_test/train-00002-of-00004.parquet ADDED
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