Update README.md

README.md

@@ -9,10 +9,9 @@ pretty_name: AggregatorAdvisor
 size_categories:
 - 10K<n<100K
 dataset_summary: >-
-  Aggregator Advisor identifies molecules that are known to aggregate or may
-  aggregate in biochemical assays.  The approach is based on the chemical
-  similarity to known aggregators, and physical properties.  The Aggregator
-  Advisor dataset contains 12645 compounds from 20 different sources.
+  AggregatorAdvisor identifies molecules that are known to aggregate or may aggregate in biochemical assays.  
+  The approach is based on the chemical similarity to known aggregators, and physical properties.  
+  The AggregatorAdvisor dataset contains 12645 compounds from 20 different sources.
 citation: >-
   @article{Irwin2015, title = {An Aggregation Advisor for Ligand Discovery},
   volume = {58}, ISSN = {1520-4804}, url =
@@ -31,4 +30,26 @@ configs:
     path: AggregatorAdvisor/test.csv
   - split: train
     path: AggregatorAdvisor/train.csv
+dataset_info:
+- config_name: AggregatorAdvisor
+  features:
+    - name: "new SMILES"
+      dtype: string
+    - name: "substance_id"
+      dtype: string
+    - name: "aggref_index"
+      dtype: int64
+    - name: "logP"
+      dtype: float64
+    - name: "reference"
+      dtype: string
+  splits:
+    - name: train
+      num_bytes: 404768
+      num_examples: 10116
+    - name: test
+      num_bytes: 101288
+      num_examples: 2529
+
+  
 ---