Upload dataset

README.md

@@ -108,6 +108,60 @@ dataset_info:
     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
+    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
+    list: uint16
+  - 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: 3368828730
+    num_examples: 419679
+  download_size: 1372120106
+  dataset_size: 3368828730
 configs:
 - config_name: DCAF7
   data_files:
@@ -117,4 +171,8 @@ configs:
   data_files:
   - split: train
     path: LRRK2/train-*
+- config_name: SETDB1
+  data_files:
+  - split: train
+    path: SETDB1/train-*
 ---

SETDB1/train-00000-of-00007.parquet

@@ -0,0 +1,3 @@
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+size 195817213

SETDB1/train-00001-of-00007.parquet

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+size 196117326

SETDB1/train-00002-of-00007.parquet

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+size 196412263

SETDB1/train-00003-of-00007.parquet

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+size 196091702

SETDB1/train-00004-of-00007.parquet

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+size 196243411

SETDB1/train-00005-of-00007.parquet

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+size 196005295

SETDB1/train-00006-of-00007.parquet

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+size 195432896