Update README.md

README.md

@@ -47,20 +47,16 @@ configs:
 dataset_info:
 - config_name: HLM
   features:
-  - name: ChEMBL ID (source)
-    dtype: string
-  - name: IUPAC Names
+  - name: ID
     dtype: string
   - name: Smiles
     dtype: string
-  - name: Class
+  - name: Y
     dtype:
       class_label:
         names:
           '0': 0
           '1': 1
-  - name: Dataset
-    dtype: string
   splits:
   - name: train
     num_bytes: 190968
@@ -73,20 +69,16 @@ dataset_info:
     num_examples: 111
 - config_name: RLM
   features:
-  - name: ChEMBL ID (source)
-    dtype: string
-  - name: IUPAC Names
+  - name: ID
     dtype: string
   - name: Smiles
     dtype: string
-  - name: Class
+  - name: Y
     dtype:
       class_label:
         names:
           '0': 0
           '1': 1
-  - name: Dataset
-    dtype: string
   splits:
   - name: train
     num_bytes: 100608
@@ -132,6 +124,9 @@ The experimental data from the National Center for Advancing Translational Scien
 For the HLM data set, 3799 (64%) compounds were classified as stable, and 2103 (36%) compounds were classified as unstable. 
 In addition, an external set from Liu et al.12 was used to evaluate the predictive power of the HLM model.
 
+The datasets uploaded to our Hugging Face repository are sanitized and reorganized versions. 
+(We have sanitized the molecules from the original paper, using MolVS.)
+
 
 ## Quickstart Usage