Code

Bootstrap the library#1

Code

Merged

cwognum merged 18 commits intomainpolaris-hub/auroris:mainfrom bootstrappolaris-hub/auroris:bootstrapCopy head branch name to clipboardMay 8, 2024

+3,357-33

Commits

Commits on Apr 24, 2024

• Basic repo structure

  cwognum

  committed
  3817581

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• Basic skeleton code

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  committed
  a9cff7c

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• First implementation of all major components: Action, Curator, Report, Broadcaster

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  committed
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Commits on Apr 25, 2024

• Added a functional module and added discretization

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  committed
  8beb63b

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• Added deduplication

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• Add stereoisomer AC detection

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• Ported over test cases

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Commits on Apr 26, 2024

• Made a good start on visualizations

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• Tested with an integrated example - Added it as a tutorial

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• Basic setup of docs

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• Add HTML broadcaster

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• Added chemspace visualization

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• Added basic, untested CLI implementation

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• Added visualization to stereoisomers with ACs

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  committed
  59fc97b

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• Update README

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  dbec0d1

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• Fix bug

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• Fix another bug

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Commits on May 8, 2024

• Enhancement (#2)

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  zhu0619

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  cwognum

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