Update README.md

README.md

@@ -1,7 +1,5 @@
 ---
 license: cc-by-4.0
-language:
-  - en
 tags:
   - chemistry
   - molecules
@@ -14,11 +12,28 @@ task_categories:
   - text-generation
   - fill-mask
 pretty_name: Reaction SMILES Dataset
+dataset_info:
+  features:
+    - name: smiles
+      dtype: string
+    - name: source_id
+      dtype: int64
+  splits:
+    - name: train
+      num_bytes: 952803468
+      num_examples: 3474464
+  download_size: 283961210
+  dataset_size: 952803468
+configs:
+  - config_name: default
+    data_files:
+      - split: train
+        path: data/train-*
 ---
 
 # Reaction SMILES Dataset
 
-A curated dataset of **3,474,464 unique chemical reaction SMILES strings** compiled from multiple public sources for use in pre-training and fine-tuning molecular language models.
+A curated dataset of **3,474,464** unique chemical reaction SMILES strings compiled from multiple public sources for use in pre-training and fine-tuning chemical language models.
 
 ## Dataset Description
 
@@ -47,22 +62,6 @@ For example: `CC(=O)O.CCO>>[H+]>CC(=O)OCC.O` represents the esterification of ac
 | 4         | [USPTO Year 2023](https://figshare.com/articles/dataset/Reaction_SMILES_USPTO_year_2023/24921555)                                      |
 | 5         | [Reaction SMILES Dataset (2023)](https://figshare.com/articles/dataset/Reaction_SMILES_dataset/22491730)                               |
 
-## Dataset Statistics
-
-| Metric                                  | Value     |
-| --------------------------------------- | --------- |
-| Total unique reactions                  | 3,474,464 |
-| Original entries (before deduplication) | 5,992,346 |
-| Duplicates removed                      | 2,517,882 |
-
-## Processing
-
-The dataset was created by:
-1. Loading all source files
-2. Extracting reaction SMILES strings
-3. Stripping whitespace
-4. Removing duplicates (keeping first occurrence to preserve source attribution)
-
 ## Usage
 
 ```python