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PaddlePaddle / PaddleHelix

Bio-Computing Platform Featuring Large-Scale Representation Learning and Multi-Task Deep Learning “螺旋桨”生物计算工具集
Apache License 2.0
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Result #170

Open Benstime opened 2 years ago

Benstime commented 2 years ago

Why the result of D-MPNN in the table of your paper is different from https://github.com/chemprop/chemprop.

Noisyntrain commented 2 years ago

Hi, Benstime, thanks for asking. The reason might be the result table in our paper are using the scaffold split to split the train/valid/test set of the dataset, and the original D-MPNN are using the random split. Hope this can he helpful to you.