ASALI is an open-source code for chemical engineers
TFEL/MFront introduces DSLs based on C++ to handle material knowledge
Software for molecular simulations and trajectory analysis
Open-Source Multiphysics FEA (FEM) Package
Utility to show live progress, status & stats for running simulations
Real Space Multigrid based electronic structure code.
An Efficient Binary data Format
A library to easily analyse output of the Heidelberg MCTDH code
Modern library for chemistry file reading and writing
Former home of the Virtual Cell platform (VCell), see http://vcell.org
Diffraction related calculations in Fortran 2003
C++/CUDA/OpenMP based Smoothed Particle Hydrodynamics (SPH) Solver
Performance Timing Tools
Quantum transport for tight-binding and ab initio Hamiltonians
Nonlinear Krylov acceleration of fixed-point and Newton-like methods