Top 7 molecular-simulation open source projects

Toolkit to aid in the analysis of lipid bilayer molecular simulation trajectories.

AdaptivePELE is a Python package aimed at enhancing the sampling of molecular simulations

A hierarchical, component based molecule builder

A package for atom-typing as well as applying and disseminating forcefields

A toolkit for painting agent-based mesoscale molecular simulations and illustrations.

Cassandra is a Monte Carlo package to conduct atomistic simulations.

Physical validation of molecular simulations