Calculating the mean value for multi-target dataset in Table1 and Table2

yuyangw / MolCLR

Implementation of MolCLR: "Molecular Contrastive Learning of Representations via Graph Neural Networks" in PyG.

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Calculating the mean value for multi-target dataset in Table1 and Table2 #17

Closed JongKook-Heo closed 1 year ago

JongKook-Heo commented 1 year ago

Hi, Yuyang Wu!

I'm wondering if, for multi-target tasks, each mean value per data in the table1 and table2 in your paper consists of different hyperparameter settings. (i.e, picking heterogeneous(best performed for each target) hyper-parameter combinations in ClinTox and take the average for individual run).

Best regards, JongKook, Heo

yuyangw commented 1 year ago

Hi JongKook, that is correct.