Upload dataset

README.md

@@ -216,6 +216,60 @@ dataset_info:
     num_examples: 140808
   download_size: 447931553
   dataset_size: 1092486474
+- 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
+  - name: FCFP4_values
+    sequence: uint16
+  - name: FCFP6_indices
+    sequence: uint16
+  - 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: 3084455761
+    num_examples: 375595
+  download_size: 1265745132
+  dataset_size: 3084455761
 configs:
 - config_name: DCAF7
   data_files:
@@ -233,4 +287,8 @@ configs:
   data_files:
   - split: train
     path: WDR12/train-*
+- config_name: WDR91
+  data_files:
+  - split: train
+    path: WDR91/train-*
 ---

WDR91/train-00000-of-00007.parquet

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+size 180823354

WDR91/train-00001-of-00007.parquet

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+size 181008908

WDR91/train-00002-of-00007.parquet

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WDR91/train-00003-of-00007.parquet

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WDR91/train-00004-of-00007.parquet

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WDR91/train-00005-of-00007.parquet

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WDR91/train-00006-of-00007.parquet

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