Upload dataset

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README.md

@@ -11,24 +11,16 @@ size_categories:
 tags:
 - drug discovery
 - bioassay
-dataset_summary: >-
-  A comprehensive disease and target-based dataset with 1.4 million molecules,
-  collected from PubChem to accelerate molecular machine learning for better
+dataset_summary: A comprehensive disease and target-based dataset with 1.4 million
+  molecules, collected from PubChem to accelerate molecular machine learning for better
   drug discovery.
-citation: |-
-  @article{KeshavarziArshadi2022,
-   title = {MolData,  a molecular benchmark for disease and target based machine learning},
-   volume = {14},
-   ISSN = {1758-2946},
-   url = {http://dx.doi.org/10.1186/s13321-022-00590-y},
-   DOI = {10.1186/s13321-022-00590-y},
-   number = {1},
-   journal = {Journal of Cheminformatics},
-   publisher = {Springer Science and Business Media LLC},
-   author = {Keshavarzi Arshadi,  Arash and Salem,  Milad and Firouzbakht,  Arash and Yuan,  Jiann Shiun},
-   year = {2022},
-   month = mar 
-  }
+citation: "@article{KeshavarziArshadi2022,\n title = {MolData,  a molecular benchmark\
+  \ for disease and target based machine learning},\n volume = {14},\n ISSN = {1758-2946},\n\
+  \ url = {http://dx.doi.org/10.1186/s13321-022-00590-y},\n DOI = {10.1186/s13321-022-00590-y},\n\
+  \ number = {1},\n journal = {Journal of Cheminformatics},\n publisher = {Springer\
+  \ Science and Business Media LLC},\n author = {Keshavarzi Arshadi,  Arash and Salem,\
+  \  Milad and Firouzbakht,  Arash and Yuan,  Jiann Shiun},\n year = {2022},\n month\
+  \ = mar \n}"
 dataset_info:
   config_name: MolData
   features:
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     dtype: string
   - name: AID
     dtype: string
-  - name: score
+  - name: Y
     dtype: int64
   splits:
   - name: train
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   - name: validation
     num_bytes: 1254512486
     num_examples: 12728449
-  download_size: 5294160881
+  download_size: 5293486933
   dataset_size: 15467486944
 configs:
 - config_name: MolData