A classical molecular dynamics code with a focus on materials modeling. It's an acronym for Large-scale Atomic/Molecular Massively Parallel Simulator. [GPL] website
C++GNU General Public License v2.0active
CPP Chemistry
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- 14%steady
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Chemistry
An ab initio computational chemistry package. [GPL] website
C++GNU Lesser General Public License v3.0active
A message-passing parallel molecular dynamics implementation. [GPL] website
C++GNU Lesser General Public License v2.1active
Multiresolution Adaptive Numerical Environment for Scientific Simulation. [GPL] website
C++GNU General Public License v2.0active
A computational framework in C++ and Python for modeling chemically reactive systems. [LGPL] website
C++GNU Lesser General Public License v2.1steady
The Massively Parallel Quantum Chemistry program, MPQC, computes properties of atoms and molecules from first principles using the time independent Schrödinger equation. [GPL] website
C++dormant
A molecular dynamics trajectory analysis engine in C++ and Lua with Nix. It is an acronym for Deferred Structural Elucidation Analysis for Molecular Simulations. [GPL] website
C++MIT Licenseactive