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Pull request Maxime#2

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maxm4 wants to merge 6 commits intoopentecr:mainfrom
maxm4:main
Open

Pull request Maxime#2
maxm4 wants to merge 6 commits intoopentecr:mainfrom
maxm4:main

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@maxm4
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@maxm4 maxm4 commented Jan 21, 2025

My work for the OpenTECR Hackathon 2025:

  • corrected erroneous reactions
  • parsed compounds
  • obtained SMILES and INCHI from Cactus
  • obtained PubChem and CheBI from Kegg
  • generated RDKit images from SMILES
  • obtained images from Kegg
  • gathered all data into a single csv
  • displayed that single csv along with the images on the website (/maxime/public/search-compounds.html)

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