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我在使用Unimol tools,我将split定义为scaffold,但是我发现结果和random数据划分方式结果一样,请问是我这种直接更改方式不正确吗? clf = MolTrain(task='regression', data_type='molecule', epochs=200, learning_rate=0.00005, batch_size=4, early_stopping=5, split='scaffold', save_path='./scaffold‘, remove_hs=True, )
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hi, you can pull the newest code and reinstall unimol_tools.
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我在使用Unimol tools,我将split定义为scaffold,但是我发现结果和random数据划分方式结果一样,请问是我这种直接更改方式不正确吗?
clf = MolTrain(task='regression',
data_type='molecule',
epochs=200,
learning_rate=0.00005,
batch_size=4,
early_stopping=5,
split='scaffold',
save_path='./scaffold‘,
remove_hs=True,
)
The text was updated successfully, but these errors were encountered: