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  • jdurrant
  • autogrow3
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  • !2

14 scoring funciton

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Merged Jacob Spiegel requested to merge 14_scoring_funciton into jacob Jul 24, 2018
  • Overview 1
  • Commits 29
  • Pipelines 0
  • Changes 1000+

scoring function is now modularized.

  • Roulette, tournament, and Ranking selectors implemented.

UNITTESTS COMPLETED!!! Tested Mutations, Crossover, Docking, Ranking.

  • During unittests found and fixed several small bugs.
  • Reduced unnecessary code in Mutation module

Moved MOH to Gypsum.

Added RobustReactions library (still working on complimentary mol dictionary)

Added several new accesory tools.

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Source branch: 14_scoring_funciton