Update README.md

README.md

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----
-license: mit
----
+---
+license: mit
+tags:
+- chemistry
+- biology
+pretty_name: PeptideMTR Pretraining Data
+size_categories:
+- 100M<n<1B
+---
+
+# PeptideMTR Training Data
+This repository contains the dataset for the **PeptideMTR** paper. It is designed for SMILES encoder models trained by masked-language modeling (MLM) and/or multi-target regression (MTR) tasks, focusing on mapping peptide sequences to biochemical properties.
+
+Link to the manuscript will be added here when available.
+
+## Dataset Summary
+The dataset includes peptide sequences paired with **99 RDKit-derived descriptors** representing various physicochemical properties (e.g., molecular weight, LogP, surface area, and charge descriptors).
+
+## Data Structure
+* `SMILES`: The SMILES representation of the molecule.
+* `descriptors`: 99 continuous numerical features generated via RDKit.
+
+## Usage
+To use this dataset with the Hugging Face `datasets` library:
+
+```python
+from datasets import load_dataset
+
+ds = load_dataset("your-username/PeptideMTR_training_data")
+```