April 2024

What's Changed

• Update network example notebook by @dwhswenson in #30
• *.nc in .gitignore by @dwhswenson in #38
• update pins for v0.6 by @richardjgowers in #37
• Update README.md by @richardjgowers in #32
• Alchemicalnetwork tutorial by @richardjgowers in #42
• CLI tutorial (markdown) by @dwhswenson in #50
• [WIP] Update cli-tutorial.md by @mikemhenry in #52
• Switch to tyk2 from p38 by @IAlibay in #53
• Add RHFE Python tutorial by @dwhswenson in #56
• Update MacOS runners so they exist by @dwhswenson in #58
• Update CLI tutorial by @dwhswenson in #57
• Switching tutorials over to RBFE by @dwhswenson in #59
• RBFE tutorial: next revisions by @dwhswenson in #60
• Make notebook transformations identical to CLI by @dwhswenson in #61
• [WIP] Fixes for feedback by @dwhswenson in #62
• Fix missing update to viewer => view by @dwhswenson in #63
• update tutorial to mention complex of vacuum by @IAlibay in #65
• Fix typos in cli_tutorial.md (#64) by @dwhswenson in #66
• Update tutorial with more details on running. by @dwhswenson in #68
• Add README to tutorial by @dwhswenson in #71
• Fix bug in cli_tutorial.md by @mikemhenry in #73
• Switch to colab by @mikemhenry in #69
• Add notebook for plotting out free energies using Cinnabar v0.3 by @IAlibay in #78
• Add notebook for creating AlchemicalNetworks from external files by @IAlibay in #79
• Openfe 13 updates by @richardjgowers in #83
• Showcase Notebook updates for OpenFE #538 by @Yoshanuikabundi in #81
• Add dG obtaining code and showing how to shift the absolutes by @IAlibay in #86
• Add notebooks for cookbook by @Yoshanuikabundi in #84
• Adapt notebook to work with cinnabar 0.4 by @hannahbaumann in #88
• Add cookbook entry for user charges by @IAlibay in #90
• Update cli_tutorial.md for new gather options by @mikemhenry in #85
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #92
• Add information about the settings flag to cli tutorial. by @RiesBen in #89
• Add LOMAP network examples by @hannahbaumann in #98
• Just testing table stuff - please ignore by @IAlibay in #116
• Update README.md by @richardjgowers in #72
• Add AHFE tutorial by @hannahbaumann in #100
• Add tutorial for MD simulations by @hannahbaumann in #97
• Fix for openfe docs rendering by @IAlibay in #120
• [pre-commit.ci] pre-commit autoupdate by @pre-commit-ci in #121
• Update cookbooks for openfe 1.0 by @IAlibay in #122
• Add alchemical planners cookbook by @IAlibay in #124
• Fix title rendering MD tutorial by @hannahbaumann in #127
• Fix old showcase for 1.0 release by @hannahbaumann in #128
• Polish up the RBFE CLI tutorial for 1.0 release by @jameseastwood in #137
• Pin macos runner to v12 by @IAlibay in #134
• Test openfe 1.0.0rc0 + refresh showcase by @mikemhenry in #99

New Contributors

• @Yoshanuikabundi made their first contribution in #81
• @RiesBen made their first contribution in #89
• @jameseastwood made their first contribution in #137

Full Changelog: nov-2022...april-2024