Protocol as inputs instead of settings

choderalab / feflow

Recipes and protocols for molecular free energy calculations using the openmmtools/perses and Open Free Energy toolkits

MIT License

13 stars 1 forks source link

Closed IAlibay closed 1 month ago

IAlibay commented 1 month ago

Targetting main but it's really a branch from #49

Solves #40

ijpulidos commented 1 month ago

We should aim to merge this one after merging #49