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Releases: alchemistry/alchemlyb

Release 0.1.0

27 May 07:09
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First official release. Features high test and documentation coverage, along with refinements to existing pre-alpha functionality.

Release 0.1.0.a1

20 Feb 03:45
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Release 0.1.0.a1 Pre-release
Pre-release

First alpha release. Features:

  1. Parsers for GROMACS, including reduced potentials and gradients.
  2. Subsampler functions for slicing, statitistical inefficiency, equilibration detection.
  3. Minimally functional estimators for MBAR, TI.