# RankRefine

To reproduce the results on TDC ADME datasets in Figure 3:
1. Create a new environment with RDKit installed
```
conda create -n rankrefine python==3.9 rdkit
```
2. Install the requirements
```
pip install scikit-learn==1.6.1 scipy==1.11.0 matplotlib==3.7.1 PyTDC==1.1.15
```
3. Run the evaluation code
```
python rankrefine.py
```

The evaluation results will be saved into './results_rankrefine/{dataset_name}'