NWChem: Open Source High-Performance Computational Chemistry
Cassandra is a Monte Carlo package to conduct atomistic simulations.
Q6 Repository -- EVB, FEP and LIE simulator.
Coarse-grained molecular dynamics simulation with the Single-Interaction-Site RNA model
EmDee: A Molecular Dynamics Laboratory
This is a NVT/NPT-Monte Carlo algorithm designed to evaluate the thermodynamic behavior of mixtures of some hard convex bodies: ellipsoids of revolution, spherocylinders, and cylinders.
Fortran2003 code (with C and Python bindings) implementing hard-sphere alkane models
Understanding Molecular Simulation 2016, University of Amsterdam. Project K.4 Multiple-Time-Step Integrators from the book "Understanding Molecular Simulation" by Daan Frenkel & Berend Smit
Lattice-Switching Monte Carlo Code for the mW water model
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