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Update tutorials #3832

Merged
merged 5 commits into from
Mar 18, 2024
Merged

Update tutorials #3832

merged 5 commits into from
Mar 18, 2024

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karannb
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@karannb karannb commented Feb 13, 2024

Description

Fix Introduction to Material Science

Fixed the Introduction to Material Science tutorial. The tutorial was not working because of inconsistent package downloads (between pymatgen and matminer), I have fixed to include the latest compatible versions (pymatgen==2023.9 and matminer==0.9.0).

Type of change

Please check the option that is related to your PR.

  • Bug fix (non-breaking change which fixes an issue)
  • New feature (non-breaking change which adds functionality)
  • Breaking change (fix or feature that would cause existing functionality to not work as expected)
    • In this case, we recommend to discuss your modification on GitHub issues before creating the PR
  • Documentations (modification for documents)

Checklist

  • My code follows the style guidelines of this project
    • Run yapf -i <modified file> and check no errors (yapf version must be 0.32.0)
    • Run mypy -p deepchem and check no errors
    • Run flake8 <modified file> --count and check no errors
    • Run python -m doctest <modified file> and check no errors
  • I have performed a self-review of my own code
  • I have commented my code, particularly in hard-to-understand areas
  • I have made corresponding changes to the documentation
  • I have added tests that prove my fix is effective or that my feature works
  • New unit tests pass locally with my changes
  • I have checked my code and corrected any misspellings

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@@ -1,427 +1,727 @@
{
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@rbharath rbharath Feb 21, 2024

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Let's add a loss curve and a comparison to the original CGCNN paper here for reference


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Changed pymatgen version again.
Added a loss-plot and result comparison from the original paper.
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@rbharath rbharath left a comment

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LGTM, once the CI has finished running cleanly

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@rbharath rbharath left a comment

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LGTM

@rbharath rbharath merged commit eef32b0 into deepchem:master Mar 18, 2024
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2 participants