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

deepmodeling / Uni-Mol

Official Repository for the Uni-Mol Series Methods

MIT License

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

Open chengfengke opened 2 weeks ago

chengfengke commented 2 weeks ago

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

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

1355wss commented 1 week ago

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

thanks