Open Watcom consists of the famous Watcom C++ and WATFOR compilers -- now open source. Open Watcom is mainly used for developing embedded, DOS, and ncurses software. Open Watcom includes the C/C++/Fortran IDE from Watcom for DOS and a full set of command-line tools for compilation, including the superb Watcom debugger. Open Watcom emits easy-to-understand errors and warnings when things go wrong. Open Watcom generates small statically linked binaries for Linux, Win32, Win16, OS/2, QNX, NetWare, and MS-DOS real and protected mode, among other targets. However, Open Watcom is still only beta-quality on Linux and BSD. The two most serious issues are imperfect C++ template support and an inability to dynamically link with shared libraries built by GCC. Also, Open Watcom is released under the Sybase Open Watcom Public License, which is considered non-free by most Debian Linux developers. NOTE: Open Watcom binaries for Linux are not available anywhere. You must build it yourself. 1.5 has known build issues on Linux; use version 1.4 or the current daily build instead.
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.
EXODUS II is a model developed to store and retrieve finite element geometry, topology, and transient data for finite element analyses. It is used for preprocessing, postprocessing, as well as code to code data transfer. ExodusII is based on netcdf. It includes the nemesis parallel extension.
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.
PHAML is a parallel program for the solution of 2D elliptic partial differential equations using low or high order finite elements, adaptive mesh refinement based on newest node bisection of triangles, and multigrid. All aspects of the method are based on the hierarchical basis functions.
Parallel Three-Dimensional Fast Fourier Transforms, dubbed P3DFFT, is a library for computing 3D FFTs using 2D (pencil) decomposition. It is written using Fortran with MPI, and is tuned to work on multiple single-CPU systems (up to 32768 of them). It is built to leverage high-performance serial 1D FFT libraries, such as FFTW or ESSL.
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.
Code_Aster offers a full range of multi-physical analysis and modelling methods that go well beyond the standard functions of software for computational thermomechanics: static and dynamic mechanics, linear or not, modal analysis, harmonic and random response, seismic analysis, acoustics, thermics, fracture, damage and fatigue, multiphysics, drying and hydratation, metallurgy analysis ,soil-structure, fluid-structure interactions, geometric and material non linearities, and contact and friction. It has a wide range of material properties (95 constitutive laws): porous media, geomaterials, damage, elastoplasticity, elastoviscoplasticity, etc., a wide range of finite elements (395), and a wide range of loadings.