deepmodeling / deepmodeling/Uni-Mol
无法使用scaffold数据划分方式
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Description
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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