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UniMol2 to fine-tune and inference in the regression(property predict) #282

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chengfengke opened this issue Oct 22, 2024 · 1 comment

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@chengfengke
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chengfengke commented Oct 22, 2024

When I use UniMol2 to fine-tune and inference (regression task), it output is weird, only focus on a small scale,first picture is real data, second is predicted pictureImage
Image

What should I do to solve the problem?
btw, Thanks a lot for such wonderful work!

@chengfengke chengfengke changed the title Unable to use infer.py in UniMol2? Good Work! Oct 22, 2024
@chengfengke chengfengke changed the title Good Work! UniMol2 to fine-tune and inference in the regression(property predict) Oct 23, 2024
@1355wss
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1355wss commented Oct 29, 2024

I want to know how to use unimol2 by unimol-tools.

thanks

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