Upload dataset

CHEMBL231_Ki/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:aaf888a188e58554f13b68b0f78bebd3adc88a89b0f695fc242ec2b37823200d
+size 13682

CHEMBL231_Ki/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:9d4024dad9dbacae7806fc08c30c456194798d1bd39015c47757a8b4e90a71ca
+size 34993

README.md

@@ -145,6 +145,35 @@ dataset_info:
     num_examples: 342
   download_size: 80022
   dataset_size: 201392
+- config_name: CHEMBL231_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: 94134
+    num_examples: 776
+  - name: test
+    num_bytes: 23929
+    num_examples: 197
+  download_size: 48675
+  dataset_size: 118063
 - config_name: CHEMBL237_EC50
   features:
   - name: smiles
@@ -292,6 +321,12 @@ configs:
     path: CHEMBL228_Ki/train-*
   - split: test
     path: CHEMBL228_Ki/test-*
+- config_name: CHEMBL231_Ki
+  data_files:
+  - split: train
+    path: CHEMBL231_Ki/train-*
+  - split: test
+    path: CHEMBL231_Ki/test-*
 - config_name: CHEMBL237_EC50
   data_files:
   - split: train