The pretraining code is adapted from pretrain-gnns repo: https://github.com/Dinxin/pretrain-gnns
And we also followed the DDI network (GCN) setting from MIRACLE repo: https://github.com/isjakewong/MIRACLE
We used the conda environment with several python packagess. The details of environment and python packages we used has been put in the file "environment.yaml" and "requirements.txt".
In the pre-traning with SSL, we use a dataset named ZINC15 which can be downloaded from chem data The dataset of DDI task have been provided.
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