deepmodeling / deepmodeling/Uni-Mol

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

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Description

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 picture![Image](https://github.com/user-attachments/assets/36eb94e0-2bd1-4ab7-ac33-a055d6fdfe4d)
![Image](https://github.com/user-attachments/assets/a0b907c3-d884-4da0-9476-89fcc7524f20)

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

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