OpenFreeEnergy / feflow

Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits
MIT License
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Protocols inputs to Units instead of using `Settings` #40

Closed ijpulidos closed 1 month ago

ijpulidos commented 6 months ago

In order to be able to support easier migration of settings, we should refactor the units to have the protocols as inputs instead of the settings objects themselves.

This is in line with #33 just making it a separate issue for organization purposes.

ijpulidos commented 1 month ago

Solved in #53