This is the official web page of the ComENet method proposed in the following paper. Code is released in DIG package.
Limei Wang, Yi Liu, Yuchao Lin, Haoran Liu, and Shuiwang Ji. "ComENet: Towards Complete and Efficient Message Passing for 3D Molecular Graphs".
@inproceedings{
wang2022comenet,
title={Com{EN}et: Towards Complete and Efficient Message Passing for 3D Molecular Graphs},
author={Limei Wang and Yi Liu and Yuchao Lin and Haoran Liu and Shuiwang Ji},
booktitle={Advances in Neural Information Processing Systems},
year={2022},
url={https://openreview.net/forum?id=mCzMqeWSFJ}
}This work was supported in part by National Science Foundation grant IIS-1908220 and National Institutes of Health grant U01AG070112.