ask for the generation of processed.pkl in the geomGCL

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

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ask for the generation of processed.pkl in the geomGCL #268

Open Yanara-Tian opened 9 months ago

Yanara-Tian commented 9 months ago

excuse me, when i am running the train_gcl.py, there is a problem about no esol_processed.pkl file? but i find there is no way to generate the file by using dataset.py or dataloader.py.So, I want to konw how to generate the esol_processed.pkl file. thank you very much!

agave233 commented 7 months ago

Hi, you can obtain the preprocess file here: https://github.com/agave233/GeomGCL/blob/master/preprocess.py