Upload dataset

FSMol/test-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:479b7c872bc1c48201708b7ec5d3425a9405ed7590ee11f226525b18d253d4ea
+size 1536423

FSMol/train-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:66284d15830a008eb341be58b76cac7300a2981c2fa55edb888b7d472ddbe6c9
+size 151978769

FSMol/validation-00000-of-00001.parquet

@@ -0,0 +1,3 @@
+version https://git-lfs.github.com/spec/v1
+oid sha256:d7f7bace2ad9a548e63d00afd40a2b167cdafbfdd99deee11b89ecc16e773acd
+size 514774

README.md

@@ -10,16 +10,14 @@ tags:
 pretty_name: FS-Mol
 size_categories:
 - 1M<n<10M
-dataset_summary: FSMol is a dataset curated from ChEMBL27 for small molecule activity prediction. 
- It consists of 5,120 distinct assays and includes a total of 233,786 unique compounds.
-citation: "
-  @article{stanley2021fs,
-  title={FS-Mol: A Few-Shot Learning Dataset of Molecules},
-  author={Stanley, Matthew and Ramsundar, Bharath and Kearnes, Steven and Riley, Patrick},
-  journal={NeurIPS 2021 AI for Science Workshop},
-  year={2021},
+dataset_summary: FSMol is a dataset curated from ChEMBL27 for small molecule activity
+  prediction. It consists of 5,120 distinct assays and includes a total of 233,786
+  unique compounds.
+citation: ' @article{stanley2021fs, title={FS-Mol: A Few-Shot Learning Dataset of
+  Molecules}, author={Stanley, Matthew and Ramsundar, Bharath and Kearnes, Steven
+  and Riley, Patrick}, journal={NeurIPS 2021 AI for Science Workshop}, year={2021},
   url={https://www.microsoft.com/en-us/research/publication/fs-mol-a-few-shot-learning-dataset-of-molecules/}
-} "
+  } '
 configs:
 - config_name: FSMol
   data_files:
@@ -34,9 +32,8 @@ dataset_info:
   features:
   - name: SMILES
     dtype: string
-  - name: 'Y'
+  - name: Y
     dtype: int64
-    description: 'Binary classification (0/1)' 
   - name: Assay_ID
     dtype: string
   - name: RegressionProperty
@@ -47,17 +44,16 @@ dataset_info:
     dtype: string
   splits:
   - name: train
-    num_bytes: 491639392
-    num_examples: 5038727
+    num_bytes: 490290719
+    num_examples: 5026257
   - name: test
-    num_bytes: 5361196
-    num_examples: 56220
+    num_bytes: 5347524
+    num_examples: 56093
   - name: validation
-    num_bytes: 1818181
-    num_examples: 19008
-  download_size: 154453519
-  dataset_size: 498818769
-
+    num_bytes: 1816208
+    num_examples: 18990
+  download_size: 154029966
+  dataset_size: 497454451
 ---
 # FS-Mol