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v0.2.0
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@DomFijan DomFijan released this 05 Sep 05:56
v0.2.0
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Release v0.2.0 - 9/5/2023

  • Dropped support for python 3.8
  • Switch to sklearn HDBSCAN implementation
  • Changed requirements and added optional requirements - nglview and matplotlib are NOT installed by default
  • add options to visualise_pymol to stop pymol startup and reinitialization
  • Quick version of MSRC was added which does not reset the clustering parameter scan after a good cluster is found
  • fixed MSRC missing the outermost loop over the water types
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