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igt-intermolecular-graph-transformer's Introduction

Drug Interaction Research by Artificial Intelligence

Overview

The project collects our AI-aided drug interaction research including drug-target interaction prediction, drug-drug interaction prediction, drug combinations, drug pair interaction prediction and so on.

News

Jan 2023

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May 2022

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Citation

If you find these works useful, please kindly cite following articles:

@article{li2023dsn,
  title={DSN-DDI: an accurate and generalized framework for drug--drug interaction prediction by dual-view representation learning},
  author={Li, Zimeng and Zhu, Shichao and Shao, Bin and Zeng, Xiangxiang and Wang, Tong and Liu, Tie-Yan},
  journal={Briefings in Bioinformatics},
  year={2023}
}
@article{liu2022improved,
  title={Improved drug--target interaction prediction with intermolecular graph transformer},
  author={Liu, Siyuan and Wang, Yusong and Deng, Yifan and He, Liang and Shao, Bin and Yin, Jian and Zheng, Nanning and Liu, Tie-Yan and Wang, Tong},
  journal={Briefings in Bioinformatics},
  volume={23},
  number={5},
  pages={bbac162},
  year={2022},
  publisher={Oxford University Press}
}

Contact

Please contact the leading corresponding author, Dr. Tong Wang ([email protected]) for technical supports and resource asks.

License

This project is licensed under the terms of the MIT license. See LICENSE for additional details.

igt-intermolecular-graph-transformer's People

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igt-intermolecular-graph-transformer's Issues

unzip erroor

The error occurs when I execute “bash prerequisites.sh”:

Archive: igt-ckpt.zip
End-of-central-directory signature not found. Either this file is not
a zipfile, or it constitutes one disk of a multi-part archive. In the
latter case the central directory and zipfile comment will be found on
the last disk(s) of this archive.
unzip: cannot find zipfile directory in one of igt-ckpt.zip or
igt-ckpt.zip.zip, and cannot find igt-ckpt.zip.ZIP, period.

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