MULE can find the lowest-(free)-energy pathway on a multidimensional landscape using the Dijkstra algorithm.
MULE is under maintenance. It is not updated frequently just because it is stable. Feel free to report any bugs. We use it everyday!
Mathmetically rigorous;
Applicable to any dimension;
Compatible to periodic CVs;
Adaptable to user-defined restraints (One can use the A* algorithm or let the pathway pass by or bypass a region.);
Simply compile mule.cpp. Windows users can use mule.exe inside the tutorial directly.
See the tutorial folder.
A Chinese introduction of MULE can be found here.
Please cite Fu et al. J. Chem. Inf. Model. 2020, 60, 5366–5374 if you like mule.