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fix: spectra prediction #2408

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merged 2 commits into from Jun 9, 2023
Merged

fix: spectra prediction #2408

merged 2 commits into from Jun 9, 2023

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hamed-musallam
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cloudflare-pages bot commented Jun 9, 2023

Deploying with  Cloudflare Pages  Cloudflare Pages

Latest commit: 0cec6bc
Status: ✅  Deploy successful!
Preview URL: https://aab3bc1d.nmrium.pages.dev
Branch Preview URL: https://fix-spectra-prediction.nmrium.pages.dev

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codecov bot commented Jun 9, 2023

Codecov Report

Patch and project coverage have no change.

Comparison is base (480d9de) 55.94% compared to head (0cec6bc) 55.94%.

Additional details and impacted files
@@           Coverage Diff           @@
##             main    #2408   +/-   ##
=======================================
  Coverage   55.94%   55.94%           
=======================================
  Files          83       83           
  Lines        4172     4172           
  Branches      162      162           
=======================================
  Hits         2334     2334           
  Misses       1837     1837           
  Partials        1        1           

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@lpatiny
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lpatiny commented Jun 9, 2023

If you take a 1D cytisine and try to predict everything it crash for the 2D

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@hamed-musallam
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If you take a 1D cytisine and try to predict everything it crash for the 2D

image

this happening because we did not pass the molfile correctly and I fix it right now, maybe this happening as a result of the last refactoring I can not be sure

@lpatiny lpatiny merged commit 45c52ba into main Jun 9, 2023
11 of 12 checks passed
@lpatiny lpatiny deleted the fix-spectra-prediction branch June 9, 2023 11:24
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2 participants