Dear reviewer, thanks a lot for your patience reviewing our paper!

We use this README file as a guidance for you to explore our code and data.



Code
====

Our code is in the "gode_code" folder beside this README file.

Here's an overview of the code of corresponding functions:

Molecule-level Pre-training
---
```bash
/m_level_pretrain_and_fine_tune/
```
KGE training (K-GNN Embedding Initialization)
---
```bash
/kg_emb/
```

KG-level Pre-training
---
```bash
/k_level_pretrain/
```

Contrastive Learning
---
```bash
/contrastive_learning/
```

Fine-tuning
---
```bash
/m_level_pretrain_and_fine_tune/
```




Data
===



We detailed the dataset (MolKG) construction and data process in Appendix B of the paper.

After unzipping it, the folder contains

The Entire MolKG Dataset  
---
---
```bash
gode_data/data_process/KG_processed.csv
```


Processing Scripts 
---
---
```bash
gode_data/dataset_construction/
```

Once again, thanks a lot for your patience!