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Revised first tutorial #2435

Merged
merged 1 commit into from
Mar 22, 2021
Merged

Revised first tutorial #2435

merged 1 commit into from
Mar 22, 2021

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Suzukazole
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Description

In this PR, I have made a minor modification to the first tutorial notebook. I have modified the code to print out the test set solubility values along with the solubilities predicted by the GraphConvModel. This is so that the predictions have a little more context, and it is easier to see how the model performs on each molecule.

Type of change

  • New feature (non-breaking change which adds functionality)

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Codecov Report

Merging #2435 (dc105e2) into master (ac98cf0) will not change coverage.
The diff coverage is n/a.

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@@           Coverage Diff           @@
##           master    #2435   +/-   ##
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  Coverage   84.51%   84.51%           
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  Files         307      307           
  Lines       27041    27041           
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  Hits        22855    22855           
  Misses       4186     4186           

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@rbharath rbharath left a comment

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Looks reasonable on my end!

@peastman Does this change look good to you? It adds on a brief section at the end of tutorial 1.

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Looks fine!

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@Suzukazole Thanks for your patience while we got 2.5.0 out! Will go ahead and merge this now that we're merging PRs for 2.6.0

@rbharath rbharath merged commit 5061825 into deepchem:master Mar 22, 2021
@Suzukazole Suzukazole deleted the Tut1 branch May 13, 2021 01:49
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4 participants