shx2020 / Python-GCNMK

Predicting potential drug-drug interactions.

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GCNMK

Fei Wang, Xiujuan Lei, Bo Liao, Fang-Xiang Wu. Predicting drug-drug interactions by graph convolutional network with multi-kernel, Briefings in Bioinformatics, 2021. DOI: 10.1093/bib/bbab511

All codes are in the same file. It works, but maybe not easy to read.

In the future, I will seperate them into individual modules. Also, the file path need to be adjusted.

In order to reduce the file size, the drug associated target file is in .txt document. When using, it should be saved in .csv.

Package Version:

Numpy: 1.20.1; Scikit-learn: 0.24.2; Torch: 1.7.1; Torch-geometric: 1.7.0

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Predicting potential drug-drug interactions.


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