Delete README_mcpp-dataset.md

README_mcpp-dataset.md

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-# Unified All-Atom Molecule Generation with Neural Fields — MCPP Dataset
-
-We curated a dataset of **186,685 MCP–protein complexes** (`mcpp_dataset.tar.gz`) starting from **641 protein–MCP complexes** from the **[RCSB PDB](https://www.rcsb.org/)** using a **“mutate-then-relax”** strategy:
-
-## Dataset Generation Pipeline
-
-1. **Mutation:**  
-   MCPs were randomly mutated at **1 to 8 sites** using **213 distinct amino acids**.
-
-2. **Relaxation:**  
-   Mutated complexes were relaxed using **FastRelax in Rosetta**, which iteratively performs side-chain packing and all-atom minimization.
-
-3. **Selection:**  
-   The best complexes were chosen based on **lowest interface scores**.
-
----
-
-## Dataset Statistics
-- MCP lengths: **4–25 amino acids** (average 10)  
-- **78%** of MCPs contain one or more **non-canonical amino acids**  
-
----
-
-## Dataset Splits
-The dataset is split using a clustering-based approach. The **test set** covers **100 protein pockets**:
-
-| Split         | File             |
-|---------------|----------------|
-| Training set  | `train_data.pt` |
-| Validation set| `val_data.pt`   |
-| Test set      | `test_data.pt`  |
-
----
-
-## How to Use
-
-1. **Download and extract:**
-```bash
-tar -xvzf mcpp_dataset.tar.gz
-```
-2. **To generate MCP samples with Funcbind, :**
-```bash
-cp train_data.pt val_data.pt test_data.pt mcpp_dataset/
-```