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0.8.0

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@jchodera jchodera released this 03 May 19:43
· 2110 commits to master since this release
0.8.0
4f6abc1

This release incorporates numerous revisions and bugfixes:

  • Alchemical functionality is now encapsulated in a separate module called alchemy
  • Support for YAML-based specification of calculations has been added. This uses an AmberTools-based pipeline under the hood.
  • Lots of bugfixes
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