Open Free Energy

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Published January 25, 2024 | Version v1.0.1
Software Open

OpenFreeEnergy/kartograf: v1.0.1

Authors/Creators

  • 1. @choderalab & @OpenFreeEnergy
  • 2. @openforcefield

Description

Minor release containing improved documentation and updates for gufe abc updates.

What's Changed

  • Docs by @RiesBen in https://github.com/OpenFreeEnergy/kartograf/pull/27
  • Update index.rst by @RiesBen in https://github.com/OpenFreeEnergy/kartograf/pull/28
  • Update Install Instructions + May Other Fixes by @mikemhenry in https://github.com/OpenFreeEnergy/kartograf/pull/29
  • include date in cache key by @mikemhenry in https://github.com/OpenFreeEnergy/kartograf/pull/31
  • Add deps to colab notebook by @mikemhenry in https://github.com/OpenFreeEnergy/kartograf/pull/32
  • Make Mapper tokenizable by @richardjgowers in https://github.com/OpenFreeEnergy/kartograf/pull/33

Full Changelog: https://github.com/OpenFreeEnergy/kartograf/compare/1.0.0...v1.0.1

Files

OpenFreeEnergy/kartograf-v1.0.1.zip

Files (6.2 MB)

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Additional details

Related works

Is supplement to
Software: https://github.com/OpenFreeEnergy/kartograf/tree/v1.0.1 (URL)