microsoft / Graphormer

Graphormer is a general-purpose deep learning backbone for molecular modeling.
MIT License
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Could you please elaborate on preparing the customized dataset based on my self-curated data? #151

Open yanhailu opened 1 year ago

yanhailu commented 1 year ago

I've read the instructions of preparing the customized dataset, and I saw the example customized dataset is the "QM9" from dgl. And this dataset object extends the dgl.data.DGLDataset class, so does it mean that my customized dataset must extend the DGLDataset class and override the parental methods? I think it might be very tricky.

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So, could you please tell me more details if I want to prepare the customized dataset based on my self-curated data?

happyCoderZC commented 1 year ago

Hello, I met the same problem with yours. My dataset is not in dgl. Have you dued with this problem and train your dataset successfully?