MathGL is a library for making high-quality scientific graphics under Linux and Windows, fast data plotting and handling of large data arrays, working in window and console modes, and easily embedding into other programs. It has more than 40 general types of graphics for 1d, 2d, and 3d data arrays. It can export graphics to raster and vector (EPS or SVG) formats. It has an OpenGL interface and can be used from console programs. It has functions for data handling and MGL language scripting for simplification of data plotting. It has several types of transparency and smoothed lightning, vector fonts and TeX-like formula drawing, an arbitrary curvilinear coordinate system, and many other useful things.
APBS is a software package for the numerical solution of the Poisson-Boltzmann equation (PBE), one of the most popular continuum models for describing electrostatic interactions between molecular solutes in salty, aqueous media. Continuum electrostatics plays an important role in several areas of biomolecular simulation, including simulation of diffusional processes to determine ligand-protein and protein-protein binding kinetics, implicit solvent molecular dynamics of biomolecules, solvation and binding energy calculations to determine ligand-protein and protein-protein equilibrium binding constants and aid in rational drug design, and biomolecular titration studies.
PDB2PQR is a Python software package that automates many of the common tasks of preparing structures for continuum electrostatics calculations, providing a platform-independent utility for converting protein files in PDB format to PQR format. These tasks include adding a limited number of missing heavy atoms to biomolecular structures, determining side-chain pKas, placing missing hydrogens, optimizing the protein for favorable hydrogen bonding, assigning charge and radius parameters from a variety of force fields.
Hoard is a scalable memory allocator (malloc replacement) for multithreaded applications. Hoard can dramatically improve your application's performance on multicore machines. No changes to your source are necessary; just link it in. Hoard scales linearly up to at least 64 processors. Supported platforms include Linux, Solaris, Mac OS X, and Windows.
GetDP is a general finite element solver using mixed elements to discretize de Rham-type complexes in one, two, and three dimensions. The main feature of GetDP is the closeness between the input data defining discrete problems (written by the user in ASCII data files) and the symbolic mathematical expressions of these problems.
SEM2DPACK is a simulator of 2D elastic wave propagation and fracture dynamics that applies the Spectral Element Method (SEM, similar to mass-lumped high-order finite element methods). Flexibility and accuracy are the main goals. Although the emphasis is currently on computational seismology and earthquake source dynamics, this tool might attract a wider audience in computational mechanics, research, and engineering.
SLOCCount is a suite of programs for counting physical source lines of code (SLOC) in possibly large software systems. It can count physical SLOC for a wide number of languages. It can take a large set of files and automatically categorize their types using a number of different heuristics, and also comes with analysis tools.
The Interactive Spectral Interpretation System (ISIS) is designed to facilitate the interpretation and analysis of high resolution X-ray spectra. It is being developed as a programmable, interactive tool for studying the physics of X-ray spectrum formation, supporting measurement and identification of spectral features and interaction with a database of atomic structure parameters and plasma emission models.
ESMF is software for building and coupling weather, climate, and related models. The premise is that complicated applications should be broken up into smaller pieces, or components. A component is a unit of software composition that has a coherent function, and a standard calling interface and behavior. Components can be assembled to create multiple applications, and different implementations of a component may be available.