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empirical-valence-bond

Here are 2 public repositories matching this topic...

qusers / Q6

Q6 Repository -- EVB, FEP and LIE simulator.

molecular-dynamics computational-chemistry molecular-simulation empirical-valence-bond evb molecular-modeling

Updated Nov 7, 2023
Fortran

MJLMills / fepcat

Modular program for FEP/US calculations

chemistry free-energy biophysics free-energy-perturbation umbrella-sampling empirical-valence-bond

Updated Nov 14, 2017
Fortran

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