# DistRouting

## Datasets
Please find the 'datasets' folder for the example of the data. The data should be split into train/validation/test subsets at first. 

## Usage example
We list all command lines in the shell script 'autorun.sh' for the four datasets (caco2, lipophilicity, ld50, ppbr) we test in our experiments. 
Run 'autorun.sh' with the name of the dataset as a parameter.
```sh
./autorun.sh caco2
```
We save the model with the best performance on the validation set and evaluate the best model with the test set.
Both model and test results will be saved in the 'save' folder.

## Acknowledgement
Supervised contrastive learning : https://github.com/HobbitLong/SupContrast  
DeepSeek-MoE: https://github.com/deepseek-ai/DeepSeek-MoE