Release 2023.4.0 #184
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Release 2023.4.0 #184
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Fix issue #124
[ref OpenBioSim/BioSimSpaceTutorials#32]
[closes OpenBioSim/BioSimSpaceTutorials#36]
Fix issues caught by BioSimSpaceTutorials
Fix issue #132 [ci skip]
Fix issue #134
Update Sandpit_exs.yml Signed-off-by: Zhiyi Wu <[email protected]> Update Sandpit_exs.yml Signed-off-by: Zhiyi Wu <[email protected]>
Sync with the BSS 2023.3
Fixed OpenMM compatibility in BSSEqBoundNode.ipynb.
Add support for aligning principal axes of system to solvent box
Fix issue #145
Allow unit-based protocol options to be passed as strings. [ci skip]
Fix issue #180
Review suggestions. [ci skip]
Add unified FEP analysis using alchemlyb
This is not reproducibly satisfied on all platforms and Python variants.
Synchronise with Exscientia remote
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This is the PR for the 2023.4.0 release of BioSimSpace. Assuming the CI passes, this will then be merged into
main, tagged, and CI triggered against that branch to build release packages.maininto this branch before issuing this pull request (e.g. by runninggit pull origin devel): [y]