Updating nonEQ branch with current main#74

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jesperswillem wants to merge 47 commits intononEQfrom

Commits on Aug 18, 2025

update POPC Amber14sb parameters
David-Araripe
committed

Commits on Aug 19, 2025

change create_ddG_plot stylling
David-Araripe
committed

Commits on Aug 23, 2025

fix but where ASP was always converted to ASH
David-Araripe
committed
update qprep-cli for more consistent output naming, depending on the processing steps
David-Araripe
committed

Commits on Aug 25, 2025

Commits on Aug 27, 2025

Commits on Aug 30, 2025

Commits on Sep 1, 2025

avoid populating results json with nan
David-Araripe
committed

Commits on Sep 10, 2025

change y axis to calc for consistency with the manuscript
David-Araripe
committed

Commits on Sep 15, 2025

update readme with instructions and other clarity improvements
David-Araripe
committed

Commits on Sep 16, 2025

Commits on Sep 17, 2025

Merge pull request #41 from qusers/lipid21-params
jesperswillem
authored

Commits on Sep 19, 2025

Commits on Oct 20, 2025

Update README.md
David-Araripe
authored

Commits on Nov 11, 2025

update tutorial files;
David-Araripe
committed

Commits on Nov 13, 2025

compile qprep during package installation and update install instructions
David-Araripe
committed

Commits on Nov 17, 2025

Commits on Dec 5, 2025

small fix on the tutorial & add figure with the perturbation mapping displayed
David-Araripe
committed