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deepchem / moleculenet

Moleculenet.ai Datasets And Splits

MIT License

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Open mufeili opened 3 years ago

mufeili commented 3 years ago

@rbharath @peastman I notice that the RMSE values I am getting for HPPB are more than 17. I guess we also need to take logarithm for this dataset.

rbharath commented 3 years ago

+1 for trying a logarithmic transform for this dataset.

mufeili commented 3 years ago

I think this should be a default option as I do not need to manually specify that for Delaney.