github OpenFreeEnergy/openfe v0.9.0

latest releases: v1.6.0, v1.5.0, v1.4.0...
2 years ago

Improvements to the OpenMM RBFE Protocol. see #387

What's Changed

  • Switch rbfe tutorial fetch to point to main; not master by @dwhswenson in #430
  • [RFE protocol] Allow multiple small molecules + allow running with non-OpenFF force fields by @IAlibay in #387

Full Changelog: v0.8.1...v0.9.0

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