You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Transformato is a package that helps to set up relative alchemical free energy calculations of small molecules with a common core scaffold, either for solvation free energy[^1] or binding free energy estimates. The package is designed to be used with output generated by [CHARMM-GUI](https://charmm-gui.org/).
0 commit comments