Amber

Molecular Dynamics on Biomolecules

Adf

Amsterdam Density Functional: DFT calculations

ADMesh

CLI and C library for processing triangulated solid meshes

ABINIT

A Density Functional Theory (DFT) package, using pseudopotentials and a planewave basis.

FFTW

Fastest Fourier Transform in the West

Healpix

Hierarchical Equal Area isoLatitude Pixelation of a sphere.

ORCA

Ab initio quantum chemistry program package

CP2K

Atomistic and molecular simulations of solid state, liquid, molecular and biological systems

Ansys

General purpose software for mechanical engineering

Hdf5

HDF5 is a unique technology suite that makes possible the management of extremely large and complex data collections.