Upload dataset

CHEMBL233_Ki/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:e98fb3473238b61b75c55a961d49da2d9b7e93e8086b29b6161dcf60fb17fc32
+size 36891

CHEMBL233_Ki/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:400c7f2ebe5fcfc78c7fca595302cbdcc6ad4803c8f26d6993b219f75947ecbd
+size 122972

README.md

@@ -203,6 +203,35 @@ dataset_info:
     num_examples: 197
   download_size: 48675
   dataset_size: 118063
+- config_name: CHEMBL233_Ki
+  features:
+  - name: smiles
+    dtype: string
+  - name: exp_mean [nM]
+    dtype: float64
+  - name: y
+    dtype: float64
+  - name: cliff_mol
+    dtype: int64
+  - name: activity_value
+    dtype: float64
+  - name: protein_sequence
+    dtype: 'null'
+  - name: chembl_id
+    dtype: string
+  - name: task
+    dtype: string
+  - name: __index_level_0__
+    dtype: int64
+  splits:
+  - name: train
+    num_bytes: 358644
+    num_examples: 2512
+  - name: test
+    num_bytes: 89995
+    num_examples: 630
+  download_size: 159863
+  dataset_size: 448639
 - config_name: CHEMBL237_EC50
   features:
   - name: smiles
@@ -478,6 +507,12 @@ configs:
     path: CHEMBL231_Ki/train-*
   - split: test
     path: CHEMBL231_Ki/test-*
+- config_name: CHEMBL233_Ki
+  data_files:
+  - split: train
+    path: CHEMBL233_Ki/train-*
+  - split: test
+    path: CHEMBL233_Ki/test-*
 - config_name: CHEMBL237_EC50
   data_files:
   - split: train