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Cleaning up the tutorial notebook#1

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hmacdope merged 6 commits intoOpenADMET:mainfrom
FanwangM:cleanup
Oct 28, 2025
Merged

Cleaning up the tutorial notebook#1
hmacdope merged 6 commits intoOpenADMET:mainfrom
FanwangM:cleanup

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@FanwangM
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@FanwangM FanwangM commented Oct 27, 2025

This is a great starting point! Thanks for sharing.

  • Remove unused dependencies from environment.yml;
  • Polish the Jupyter notebook outputs;
  • Add requirements.txt to support pip;
  • Update .gitignore

Any feedback is appreciated.

1. fix import orders
2. update the outputs for better reviews
3. remove unused cell and whitespace
@FanwangM
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Hi @hmacdope . Can you please take a look at this PR? Thanks.

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I tested this, looks nice, thanks for the small edits. In general we won't take other tweaks as lots of reviewing burden.

Removed as we don't test in CI
@hmacdope hmacdope merged commit cf2dd9d into OpenADMET:main Oct 28, 2025
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2 participants