Upload dataset

README.md

@@ -6,6 +6,36 @@ tags:
 - drug-discovery
 - blood-brain-barrier
 - graph-neural-network
+configs:
+- config_name: regression
+  data_files:
+  - split: train
+    path: regression/train-*
+  - split: validation
+    path: regression/validation-*
+  - split: test
+    path: regression/test-*
+dataset_info:
+  config_name: regression
+  features:
+  - name: SMILES
+    dtype: string
+  - name: label
+    dtype: float64
+  - name: InChI_Key
+    dtype: string
+  splits:
+  - name: train
+    num_bytes: 81036
+    num_examples: 963
+  - name: validation
+    num_bytes: 7613
+    num_examples: 84
+  - name: test
+    num_bytes: 9294
+    num_examples: 100
+  download_size: 56403
+  dataset_size: 97943
 ---
 
 # BBBP Dataset

regression/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
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+oid sha256:d390106190447fb074ccfa4f4ddd53eab1bdec0c092b2c12277ddf01c882e266
+size 7337

regression/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:1901070ce9eebc28f90131aebb8047fc1d8b9258da8813873b9c5a81962118f1
+size 42919

regression/validation-00000-of-00001.parquet

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+version https://git-lfs.github.com/spec/v1
+oid sha256:96e95b8cee53d98c97cea67dea24b9cf962a283509ef06645967a85d532c0de8
+size 6147