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v1.15.0

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@github-actions github-actions released this 01 Jul 14:56

MolSimToolkit v1.15.0

Diff since v1.14.0

  • Experimental new feature: reweighting of simualtions by perturbations.
  • REMD heatmap now uses :bwr color scheme for :relative colorscale option, with white color for 1.0.

Merged pull requests:

  • create Resampling function (#6) (@LV-IQ)