# MoLE-GNN_CIKM

## Dependency Installation

```python
pip install torch==2.1.0+cu121 torchvision torchaudio --index-url https://download.pytorch.org/whl/cu121
pip install torch-scatter -f https://data.pyg.org/whl/torch-2.1.0+cu121.html
pip install torch-sparse -f https://data.pyg.org/whl/torch-2.1.0+cu121.html
pip install torch-cluster -f https://data.pyg.org/whl/torch-2.1.0+cu121.html
pip install torch-spline-conv -f https://data.pyg.org/whl/torch-2.1.0+cu121.html
pip install torch-geometric
pip install rdkit==2022.9.5
```
## The Dataset is present in the dataset directory. Please unzip to perform experiments

## Please run the following sh file to perform experiments
```python
sh moeLE_GNN.sh
```
