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---
dataset_info:
- config_name: DCAF7
  features:
  - name: COMPOUND_ID
    dtype: string
  - name: LIBRARY_ID
    dtype: string
  - name: LABEL
    dtype: int32
  - name: MW
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  - name: ALOGP
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  - name: ECFP4_indices
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  - name: FCFP4_indices
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  - name: FCFP4_values
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  - name: FCFP6_indices
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  - name: FCFP6_values
    sequence: uint16
  - name: MACCS_indices
    sequence: uint16
  - name: MACCS_values
    sequence: uint16
  - name: RDK_indices
    sequence: uint16
  - name: RDK_values
    sequence: uint16
  - name: AVALON_indices
    sequence: uint16
  - name: AVALON_values
    sequence: uint16
  - name: ATOMPAIR_indices
    sequence: uint16
  - name: ATOMPAIR_values
    sequence: uint16
  - name: TOPTOR_indices
    sequence: uint16
  - name: TOPTOR_values
    sequence: uint16
  splits:
  - name: train
    num_bytes: 4437627052
    num_examples: 512199
  download_size: 1809833636
  dataset_size: 4437627052
- config_name: LRRK2
  features:
  - name: COMPOUND_ID
    dtype: string
  - name: LIBRARY_ID
    dtype: string
  - name: LABEL
    dtype: int32
  - name: MW
    dtype: float32
  - name: ALOGP
    dtype: float32
  - name: ECFP4_indices
    list: uint16
  - name: ECFP4_values
    list: uint16
  - name: ECFP6_indices
    list: uint16
  - name: ECFP6_values
    list: uint16
  - name: FCFP4_indices
    list: uint16
  - name: FCFP4_values
    list: uint16
  - name: FCFP6_indices
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  - name: FCFP6_values
    list: uint16
  - name: MACCS_indices
    list: uint16
  - name: MACCS_values
    list: uint16
  - name: RDK_indices
    list: uint16
  - name: RDK_values
    list: uint16
  - name: AVALON_indices
    list: uint16
  - name: AVALON_values
    list: uint16
  - name: ATOMPAIR_indices
    list: uint16
  - name: ATOMPAIR_values
    list: uint16
  - name: TOPTOR_indices
    list: uint16
  - name: TOPTOR_values
    list: uint16
  splits:
  - name: train
    num_bytes: 2567986954
    num_examples: 320791
  download_size: 1057052171
  dataset_size: 2567986954
- config_name: SETDB1
  features:
  - name: COMPOUND_ID
    dtype: string
  - name: LIBRARY_ID
    dtype: string
  - name: LABEL
    dtype: int32
  - name: MW
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  - name: ALOGP
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  - name: ECFP4_indices
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  - name: FCFP4_indices
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  - name: FCFP6_values
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  - name: MACCS_indices
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  - name: MACCS_values
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  - name: RDK_indices
    list: uint16
  - name: RDK_values
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  - name: AVALON_indices
    list: uint16
  - name: AVALON_values
    list: uint16
  - name: ATOMPAIR_indices
    list: uint16
  - name: ATOMPAIR_values
    list: uint16
  - name: TOPTOR_indices
    list: uint16
  - name: TOPTOR_values
    list: uint16
  splits:
  - name: train
    num_bytes: 3368828730
    num_examples: 419679
  download_size: 1372120106
  dataset_size: 3368828730
- config_name: WDR12
  features:
  - name: COMPOUND_ID
    dtype: string
  - name: LIBRARY_ID
    dtype: string
  - name: LABEL
    dtype: int32
  - name: MW
    dtype: float32
  - name: ALOGP
    dtype: float32
  - name: ECFP4_indices
    list: uint16
  - name: ECFP4_values
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  - name: FCFP4_indices
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    list: uint16
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    list: uint16
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  - name: ATOMPAIR_indices
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    list: uint16
  splits:
  - name: train
    num_bytes: 1092486474
    num_examples: 140808
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- config_name: WDR91
  features:
  - name: COMPOUND_ID
    dtype: string
  - name: LIBRARY_ID
    dtype: string
  - name: LABEL
    dtype: int32
  - name: MW
    dtype: float32
  - name: ALOGP
    dtype: float32
  - name: ECFP4_indices
    sequence: uint16
  - name: ECFP4_values
    sequence: uint16
  - name: ECFP6_indices
    sequence: uint16
  - name: ECFP6_values
    sequence: uint16
  - name: FCFP4_indices
    sequence: uint16
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    sequence: uint16
  - name: FCFP6_indices
    sequence: uint16
  - name: FCFP6_values
    sequence: uint16
  - name: MACCS_indices
    sequence: uint16
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    sequence: uint16
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    sequence: uint16
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    sequence: uint16
  - name: AVALON_indices
    sequence: uint16
  - name: AVALON_values
    sequence: uint16
  - name: ATOMPAIR_indices
    sequence: uint16
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    sequence: uint16
  - name: TOPTOR_indices
    sequence: uint16
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    sequence: uint16
  splits:
  - name: train
    num_bytes: 3084455761
    num_examples: 375595
  download_size: 1265745132
  dataset_size: 3084455761
- config_name: WDR91_test
  features:
  - name: RandomID
    dtype: string
  - name: SMILES
    dtype: string
  - name: MW
    dtype: float32
  - name: AlogP
    dtype: float32
  - name: ECFP4_indices
    list: uint16
  - name: ECFP4_values
    list: uint16
  - name: ECFP6_indices
    list: uint16
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    list: uint16
  - name: FCFP4_indices
    list: uint16
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    list: uint16
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    list: uint16
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    list: uint16
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    list: uint16
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    list: uint16
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    list: uint16
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    list: uint16
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    list: uint16
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    list: uint16
  - name: ATOMPAIR_indices
    list: uint16
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    list: uint16
  - name: TOPTOR_indices
    list: uint16
  - name: TOPTOR_values
    list: uint16
  splits:
  - name: train
    num_bytes: 1994680534
    num_examples: 339258
  download_size: 813330958
  dataset_size: 1994680534
configs:
- config_name: DCAF7
  data_files:
  - split: train
    path: DCAF7/train-*
- config_name: LRRK2
  data_files:
  - split: train
    path: LRRK2/train-*
- config_name: SETDB1
  data_files:
  - split: train
    path: SETDB1/train-*
- config_name: WDR12
  data_files:
  - split: train
    path: WDR12/train-*
- config_name: WDR91
  data_files:
  - split: train
    path: WDR91/train-*
- config_name: WDR91_test
  data_files:
  - split: train
    path: WDR91_test/train-*
---