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AIMSim v2.1.0

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@JacksonBurns JacksonBurns released this 16 Aug 18:48
· 61 commits to master since this release
v2.1.0
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AIMSim Minor Release 2.1.0

This minor release of AIMSim adds a number of small patches and a new feature:

  • fixed packaging for compatibility with conda, and now a conda package
  • added mordredcommunity to support the mordred set of descriptors
  • refactored SimilarityMeasure to eliminate code duplication
  • new feature: @ramirandaq's MultipleComparisons Extended Similarity Indices are now supported in AIMSim through the GUI and the configuraiton file. Calculate them with get_extended_similarity_indices in the tasks list.

Changelog

Full Changelog: v2.0.3...v2.1.0

Contributors

ramirandaq and JacksonBurns
Assets 2
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