This is the official web page of the GraphDF method proposed in the following paper. Code is released in DIG package.
Youzhi Luo, Keqiang Yan, Shuiwang Ji. "GraphDF: A Discrete Flow Model for Molecular Graph Generation".
@InProceedings{luo2021graphdf,
title = {{GraphDF}: A Discrete Flow Model for Molecular Graph Generation},
author = {Luo, Youzhi and Yan, Keqiang and Ji, Shuiwang},
booktitle = {Proceedings of the 38th International Conference on Machine Learning},
pages = {7192--7203},
year = {2021},
editor = {Meila, Marina and Zhang, Tong},
volume = {139},
series = {Proceedings of Machine Learning Research},
month = {18--24 Jul},
publisher = {PMLR}
}This work was supported in part by National Science Foundation grants DBI-2028361.