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Invalid Value Encountered in Sqrt #250

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navvye opened this issue Sep 8, 2024 · 3 comments
Open

Invalid Value Encountered in Sqrt #250

navvye opened this issue Sep 8, 2024 · 3 comments

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@navvye
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navvye commented Sep 8, 2024

While initializing the docker container, I get this error on Step 31/33

/home/appuser/DiffDock/utils/so3.py:59: RuntimeWarning: invalid value encountered in sqrt  

 _exp_score_norms = np.sqrt(np.sum(_score_norms**2 * _pdf_vals, axis=1) / np.sum(_pdf_vals, axis=1) / np.pi)

@mapuyi
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mapuyi commented Sep 11, 2024

I have met this as well on the first time running after environment setup, and it seems not a fatal issue. Just wait and let it go through. This warning would not show up again after the first run, from my experience.

@navvye
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navvye commented Sep 11, 2024

No, it's not letting me proceed further.

@YangPH0624
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No, it's not letting me proceed further.

do you solve the problem? i meet the same one.

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