Update README.md

README.md

@@ -45,3 +45,32 @@ configs:
   - split: test
     path: data/test-*
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+
+# ChEBI-20-MM SMILES Captioning Dataset
+
+## Dataset Transformation Summary
+
+**Original Dataset**: `liupf/ChEBI-20-MM`  
+**Transformed Dataset**: `pkanithi/ChEBI-20-MM-SMILES-Captioning`
+
+## Changes Made
+
+### Added `messages` Column
+- Added a new `messages` column in ChatML format
+- Each example now contains a conversation structure with system, user, and assistant messages
+
+### Chat Format Structure
+Each example now has a `messages` array with:
+1. **System message**: Instructions for molecular structure description
+2. **User message**: SMILES string input
+3. **Assistant message**: Molecular description from the dataset
+
+The user message format:
+```
+Here is the molecular data:
+- SMILES: [SMILES_string]
+```
+
+## Result
+The dataset is now in ChatML format suitable for supervised fine-tuning of molecular captioning models, focusing on SMILES-to-description tasks.
+