APBS is a software package for the numerical solution of the Poisson-Boltzmann equation, a popular continuum model for describing electrostatic interactions between molecular solutes over a wide range of length scales. <http://www.poissonboltzmann.org/>. Please register at http://goo.gl/LGVU5j before downloading!
GLUI is a GLUT-based C++ user interface library which provides controls such as buttons, checkboxes, radio buttons, and spinners to OpenGL applications. It is window-system independent, using GLUT or FreeGLUT.
Viewmol is a graphical front end for computational chemistry programs. It is able to graphically aid in the generation of molecular structures for computations and to visualize their results.
PARAMESH is a package of Fortran 90 subroutines designed to provide an application developer with an easy route to extend an existing serial code which uses a logically cartesian structured mesh into a parallel code with adaptive mesh refinement(AMR).
An open-source quantum chemistry program package
PSI is an open-source program for computing molecular properties using high-accuracy, ab initio, quantum mechanical models.
DAVE is an integrated environment for the reduction, visualization and analysis of inelastic neutron scattering (scientific) data. It is built with IDL from Research Systems, Inc. DAVE is fully supported on Linux, Windows and MacOS X.
The Delta code is an nonlinear aeroelastic solver written in fortran 90. At the moment only vortex lattice aerodynamics is available but the hope is for a higher fidelity aerodynamic model to be developed for use in the current code. Linux and Unix.
LUNUS software for generating 3D maps of diffuse scattering from macromolecular X-ray crystallography diffraction images. Also see http://lunus.sourceforge.net
Chemiinformatics: ND qsar -- dimensions involved in biological activity are more than the tree dimensions our mind can easily perceive.
Telluride is a Los Alamos National Laboratory project for simulation of metal casting and welding - free-surface incompressible flow with heat transfer (conductive, convective, and radiative), phase change (melting and solidification), and other physics.
VAPOR is the Visualization and Analysis Platform for Ocean, atmosphere, and solar Research
ea-fold is a platform to perform protein folding simulations by means of evolutionary algorithms. The program implements a parallelized distributed evolutionary algorithms and a flexible force field.
Handles Hexahedral, Tetrahedral, Quadrilateral, and Triangle meshes. Lagrangian, Hierarchic, and Monomial finite elements. Interface to PETSc solvers, adaptive mesh refinement, and extreme portablility.