Science software

programming language for statistical analysis

Nanoscale Molecular Dynamics (NAMD, formerly Not Another Molecular Dynamics Program) is computer software for molecular dynamics simulation, written using the Charm++ parallel programming model (not to be confused with CHARMM). It is noted for its parallel efficiency and is often used to simulate large systems (millions of atoms). It has been developed by the collaboration of the Theoretical and Computational Biophysics Group (TCB) and the Parallel Programming Laboratory (PPL) at the University of Illinois Urbana–Champaign.

Quantian OS was a remastering of Knoppix/Debian for computational sciences. The environment was self-configuring and directly bootable CD/DVD that turns any PC or laptop (provided it can boot from cdrom/DVD) into a Linux workstation. Quantian also incorporated clusterKnoppix and added support for openMosix, including remote booting of light clients in an openMosix terminal server context permitting rapid setup of a SMP cluster computer.

ΧyMTeΧ is a macro package for TeX which renders high-quality chemical structure diagrams. Using the typesetting system, the name is styled as ''''''. It was originally written by . Molecules are defined by TeX markup.

CP2K is a freely available (GPL) quantum chemistry and solid state physics program package, written in Fortran 2008, to perform atomistic simulations of solid state, liquid, molecular, periodic, material, crystal, and biological systems. It provides a general framework for different methods: density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW) via LDA, GGA, MP2, or RPA levels of theory, classical pair and many-body potentials, semi-empirical (AM1, PM3, MNDO, MNDOd, PM6) and tight-binding Hamiltonians, as well as Quantum Mechanics/Molecular Mechanics (QM/MM) hyb

The Experimental Physics and Industrial Control System (EPICS) is a set of software tools and applications used to develop and implement distributed control systems to operate devices such as particle accelerators, telescopes and other large scientific facilities. The tools are designed to help develop systems which often feature large numbers of networked computers delivering control and feedback. They also provide SCADA capabilities.