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The pretraining datase of PocketFlow was choosed from [ZINC 3D](https://zinc.docking.org/tranches/home/). You can download ZINC 3D, and then use make_pretrain_data.py to produce the pretraining dataset.
### Citation
If you find this work useful, please kindly cite the paper:
```latex
@article{
title={PocketFlow is a data-and-knowledge-driven structure-based molecular generative model},
author={Yuanyuan Jiang, Guo Zhang, Jing You, Hailin Zhang, Rui Yao, Huanzhang Xie, Liyun Zhang, Ziyi Xia, Mengzhe Dai, Yunjie Wu, Linli Li & Shengyong Yang},
journal={Nature Machine Intelligence},
year={2024},
url={https://doi.org/10.1038/s42256-024-00808-8}
}
```