Update README.md

README.md

@@ -1,13 +1,13 @@
 ---
 language: en
-license: mit
 source_datasets: curated
 tags:
 - chemistry
 - toxicology
 pretty_name: Human & Rat Liver Microsomal Stability
 dataset_summary: >-
-  Curation of databases of compounds for assessing human liver microsomes (HLM) stability and rat liver microsomes (RLM) stability.
+  Curation of databases of compounds for assessing human liver microsomes (HLM)
+  stability and rat liver microsomes (RLM) stability.
 citation: |-
   @article{
     author = {Longqiang Li, Zhou Lu, Guixia Liu, Yun Tang, and Weihua Li},
@@ -23,91 +23,91 @@ citation: |-
 size_categories:
 - 10K<n<100K
 config_names:
-  - HLM
-  - RLM
-  - Marketed_Drug
+- HLM
+- RLM
+- Marketed_Drug
 configs:
-  - config_name: HLM
-    data_files:
-      - split: test
-        path: HLM/test.csv
-      - split: train
-        path: HLM/train.csv
-  - config_name: RLM
-    data_files:
-      - split: test
-        path: RLM/test.csv
-      - split: train
-        path: RLM/train.csv
+- config_name: HLM
+  data_files:
+  - split: test
+    path: HLM/test.csv
+  - split: train
+    path: HLM/train.csv
+- config_name: RLM
+  data_files:
+  - split: test
+    path: RLM/test.csv
+  - split: train
+    path: RLM/train.csv
 dataset_info:
 - config_name: HLM
-  features: 
-    - name: "ChEMBL ID (source)"
-      dtype: string
-    - name: "IUPAC Names"
-      dtype: string
-    - name: "Smiles"
-      dtype: string
-    - name: "Class"
-      dtype:
-          class_label:
-            names:
-              '0': 0
-              '1': 1 
-    - name: "Dataset"
-      dtype: string
+  features:
+  - name: ChEMBL ID (source)
+    dtype: string
+  - name: IUPAC Names
+    dtype: string
+  - name: Smiles
+    dtype: string
+  - name: Class
+    dtype:
+      class_label:
+        names:
+          '0': 0
+          '1': 1
+  - name: Dataset
+    dtype: string
   splits:
-      - name: train
-        num_bytes: 190968
-        num_examples: 4771
-      - name: test
-        num_bytes: 45368
-        num_examples: 1131
+  - name: train
+    num_bytes: 190968
+    num_examples: 4771
+  - name: test
+    num_bytes: 45368
+    num_examples: 1131
 - config_name: RLM
-  features: 
-    - name: "ChEMBL ID (source)"
-      dtype: string
-    - name: "IUPAC Names"
-      dtype: string
-    - name: "Smiles"
-      dtype: string
-    - name: "Class"
-      dtype:
-          class_label:
-            names:
-              '0': 0
-              '1': 1 
-    - name: "Dataset"
-      dtype: string
+  features:
+  - name: ChEMBL ID (source)
+    dtype: string
+  - name: IUPAC Names
+    dtype: string
+  - name: Smiles
+    dtype: string
+  - name: Class
+    dtype:
+      class_label:
+        names:
+          '0': 0
+          '1': 1
+  - name: Dataset
+    dtype: string
   splits:
-      - name: train
-        num_bytes: 100608
-        num_examples: 2512
-      - name: test
-        num_bytes: 23968
-        num_examples: 596 
+  - name: train
+    num_bytes: 100608
+    num_examples: 2512
+  - name: test
+    num_bytes: 23968
+    num_examples: 596
 - config_name: Marketed_Drug
-  features: 
-    - name: "Smiles"
-      dtype: string
-    - name: "Class"
-      dtype:
-          class_label:
-            names:
-              '0': 0
-              '1': 1 
-    - name: "Online server predicted class"
-      dtype:
-          class_label:
-            names:
-              '0': 0
-              '1': 1 
-    - name: "Our predicted class"
-      dtype:
-          class_label:
-            names:
-              '0': 0
-              '1': 1 
+  features:
+  - name: Smiles
+    dtype: string
+  - name: Class
+    dtype:
+      class_label:
+        names:
+          '0': 0
+          '1': 1
+  - name: Online server predicted class
+    dtype:
+      class_label:
+        names:
+          '0': 0
+          '1': 1
+  - name: Our predicted class
+    dtype:
+      class_label:
+        names:
+          '0': 0
+          '1': 1
 ---
 
 # Human & Rat Liver Microsomal Stability
@@ -196,4 +196,4 @@ then load, featurize, split, fit, and evaluate the a catboost model
         references=split_featurised_dataset["test"]['Solubility'],
         predictions=preds["cat_boost_regressor::Solubility"])        
 
-## Citation
+## Citation