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.
ffnet is a fast and easy-to-use feed-forward neural network training solution for Python. You can use it to train, test, save, load, and use an artificial neural network with sigmoid activation functions. Any network connectivity without cycles is allowed (not only layered). Training can be performed with several optimization schemes, including genetic alorithm based optimization. There is access to exact partial derivatives of network outputs versus its inputs. Normalization of data is handled automatically by ffnet.
GSEGYView is a viewer for seismic data in SEG-Y format, its modifications, and many other related formats aimed to store either petroleum exploration data or seismology data. GSEGYView features graphics hardware acceleration via OpenGL for seismic data rendering, wiggle, variable area and variable density seismic traces representation, two-level sorting of seismic traces by arbitratry keys in trace headers, multiple windows for multiple files with separate display parameters, easy seismic section navigation and zoom with mouse wheel support, and more.
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.
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.
Cactus is a general, modular, parallel environment for solving systems of partial differential equations. The code has been developed over many years by a large international collaboration of numerical relativity and computational science research groups and can be used to provide a portable platform for solving any system of partial differential equations.