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Update ReadME.md with installation and usage instructions, and code improvements #8

Merged
merged 6 commits into from
Mar 25, 2024
Merged

Update ReadME.md with installation and usage instructions, and code improvements #8

merged 6 commits into from
Mar 25, 2024

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HellenNamulinda
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Hello @miquelduranfrigola ,
This PR introduces several enhancements.
Changes include

  • Save evaluation metrics as a JSON file instead of txt file, fe93e50.
  • Add version information(starting at 0.0.1), f094fbb.
  • Commit(9a497bb) introduces the option to choose whether to use default parameters during model training, and also updates the search space for XGBoost .
  • Add test notebook to compare performance across different scenarios, c79f0fc.
  • 4e9c49b initializes the package, allowing classes to be imported directly from the xai4chem package namespace.
  • Update README.md file with installation and usage instructions, 95ff94f.

@HellenNamulinda
Save evaluation metrics as a JSON file
fe93e50 
instead of .txt file
@HellenNamulinda
Add version
f094fbb
@HellenNamulinda
Add option for default parameters
9a497bb 
update search space for xgboost and catboost.
@HellenNamulinda
Add test notebook,
c79f0fc 
Compare  performance
@HellenNamulinda
Initialize package:
4e9c49b 
allow classes to be imported directly from the xai4chem package namespace.
@HellenNamulinda
Update README.md
95ff94f 
With installation and usage instructions.
miquelduranfrigola
miquelduranfrigola approved these changes Mar 25, 2024
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Great work, @HellenNamulinda . This is a substantial update!
I approve the PR

@miquelduranfrigola miquelduranfrigola merged commit 0f3b2f7 into ersilia-os:main Mar 25, 2024
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@HellenNamulinda HellenNamulinda mentioned this pull request Mar 25, 2024
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@miquelduranfrigola miquelduranfrigola miquelduranfrigola approved these changes

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@HellenNamulinda @miquelduranfrigola