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Add JupyterNote Book to host the documentation website #151

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merged 8 commits into from
Aug 6, 2023

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RichRick1
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Here is a website for the package that is build using the Jupyter notebook.
By making the demo executable I found a few issues.

  1. There is still dependency on rdkit, at least at the main branch
  2. DirectSphere exclusion doesn’t work (indexing error) for the case when clusters are provided. This is available in the demo notebook
  3. I believe that there is no DissimilaritySelection class anymore. If so, I can delete this part from the notebook.

@PaulWAyers can you please provide me with the custom domain name, so I can link it using GitHub pages

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codecov bot commented Aug 2, 2023

Codecov Report

Merging #151 (64eedbe) into main (7aeec91) will increase coverage by 0.10%.
The diff coverage is 100.00%.

❗ Current head 64eedbe differs from pull request most recent head 8b1cff6. Consider uploading reports for the commit 8b1cff6 to get more accurate results

Impacted file tree graph

@@            Coverage Diff             @@
##             main     #151      +/-   ##
==========================================
+ Coverage   40.54%   40.64%   +0.10%     
==========================================
  Files           8        8              
  Lines         555      556       +1     
==========================================
+ Hits          225      226       +1     
  Misses        330      330              
Files Changed Coverage Δ
DiverseSelector/methods/base.py 25.71% <100.00%> (+2.18%) ⬆️

@FanwangM
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FanwangM commented Aug 2, 2023

The selector.qcdevs.org has been reserved and can be used. @RichRick1
I will work on the code review later.

@RichRick1
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@FanwangM fixed this. Now, you can access the website through selector.qcdevs.org

@FanwangM FanwangM changed the title Book Add JupyterNote Book to host the documentation website Aug 5, 2023
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FanwangM commented Aug 5, 2023

Thank you for making this nice website! @RichRick1

Given it becomes hard to put comments with the corresponding files. I will put the comments here.

  • I would replace the footer with By "The QC-Dev Community with the support of Digital Research Alliance of Canada and The Jupyter Book Community, © Copyright 2022-2023."
  • Can you put Base class, Dissimilarity based methods, Partition based methods and Utils under the section title of API?
  • Can you clean up the contents a little?
    • Remove markdown.md
    • Rename the notebook.ipynb to welcome.ipynb or introduction.ipynb?
    • We don't have references listed yet and can you just put one reference in references.bib as a place holder, but clean it up to avoid redundant texts.

Also,

  • We will name our package as QC-Selector. I just want to mention this as a placeholder for future reference, but no changes need here.

BTW, we are not going to change the diversity_subsect_selection_synthetic_data.ipynb, but will address any problem in other PRs.

Please feel free to tag me once these issues are addressed. Thanks.

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Comments detailed above.

@RichRick1
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@FanwangM I think all issues above have been addressed now.
Please let me know if there is anything else that needs to be done.

Once this pull request is merged, I can set up automatic deployment and building the documentation through the GitHub actions

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Thanks for helping with the website and I am going to merge it. @RichRick1

@FanwangM FanwangM merged commit 7aaea32 into theochem:main Aug 6, 2023
4 of 7 checks passed
JackyZzZz pushed a commit to JackyZzZz/Selector that referenced this pull request Jun 14, 2024
Add JupyterNote Book to host the documentation website
FanwangM added a commit that referenced this pull request Jul 2, 2024
Add JupyterNote Book to host the documentation website
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2 participants