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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Try to document where the protocols are useful in projects #68

Open ijpulidos opened 1 month ago

ijpulidos commented 1 month ago

We have received feedback from leadership that it would be important to document where the different protocols and tools in FEFlow are being used, in terms of projects and the "big picture". We will have to think about how and where to do this, but it's important in terms of tracking the relevance of the different components.

A possibility would be just a docstring in the different modules, but we probably want to eventually have a user facing documentation that helps with this.