APBS is a software package for the numerical solution of the Poisson-Boltzmann equation, a popular continuum model for describing electrostatic interactions between molecular solutes over a wide range of length scales. <http://www.poissonboltzmann.org/>. Please register at http://goo.gl/LGVU5j before downloading!
ATLAS (Automatically Tuned Linear Algebra Software) provides highly optimized Linear Algebra kernels for arbitrary cache-based architectures. ATLAS provides ANSI C and Fortran77 interfaces for the entire BLAS API, and a small portion of the LAPACK AP
FORTRAN Unit Test Framework FRUIT - TDD in FORTRAN
FORTRAN Unit Test Framework, written in FORTRAN 95. So that all FORTRAN features can be tested. FRUIT has assertion, fixture, setup, teardown, report, spec, driver generation. Rake used as build tool. Tutorials at http://fortranxunit.wiki.sourceforge.net The core testing part is in FORTRAN, this part can be used independent of the Ruby codes. The Ruby code is to make fixtures and reports easier. Rake is to build the project elegantly. This project also demonstrate a new way to build mixed language code in an alternative way than Make. Most of the FORTRAN are important in nature, used in nuclear and aerospace codes, etc, and maintained and written actively. Please help to bring TDD practices to the FORTRAN community. The change could be very hard, personally, I quit, since I could not make the change. I hope your organization will be successful. Enjoy a cup of fruit while maintaining FORTRAN ! Andrew Hang Chen and other maintainers who feel importance of TDD in cr
This site hosts the source code for C++ version of the Broker for SBW, NOM module, advanced simulation suite, analysis applications and model editors.
PySCeS is the Python Simulator of Cellular Systems
PySCeS is the Python Simulator of Cellular Systems. For a network of coupled reactions it does a stoichiometric matrix analysis, calculates the time course and steady state, and does a complete control analysis.
finFoil is an application to help amateur surfboard fin makers foil their fins properly. Check out the homepage for the latest news and tutorials: http://hrobeers.github.io/finFoil/ hrobeers
BrennerMD is a public domain Fortran molecular dynamics program by Donald Brenner and other people. This project is to maintain the original source code and to build a Python interface on top of it.
Simple Python class for managing tables of data in memory using NumPy. It allows to give names to views of array. The package contains few classes built on top of the basic one to be used as post processing tools for particle optics computations.
Cca-forum unifies the Common Component Architecture tools and tutorial. It includes the CCA specifications, the Ccaffeine framework for HPC, and related tools. These support multilanguage scientific and parallel computing.
Ordinary Differential Equation (ODE) solver for Tcl. Handles both stiff and non-stiff sets of equations; does time-evolved initial value problems and root finding. Based on the popular Lawrence Livermore solver LSODE.
This compact function parser module written in Fortran95 is intended for applications where a set of Fortran-style mathematical expressions is specified at runtime and is then evaluated for a large number of variable values.
AquaTerm is a Mac OS X grahics renderer. It allows command line applications written in ObjC, C, FORTRAN, Lisp, Perl or Python to display vector graphics, text and images using a simple API. Adapters for gnuplot, PGPLOT, and PLplot exists as well.
a piece of medical software to analyze tissue density maps for anomalies
This project provides a web location for CUG members to share code or links to utilities, scripts, or procedures for managing Cray systems.
Pydusa is a package for parallel programming using Python. It contains a module for doing MPI programming in Python. We have added parallel solver packages such as Parallel SuperLU for solving sparse linear systems.
BlueM is a software package for river basin management. It allows for the integrated simulation, optimization and analysis of discharge and pollution loads in rural and urban catchments, including processes in the water body, using physically-based h
Modeling Processes Across Scales (MPAS) is a variable-resolution framework for developing general circulation models and other component models for climate and weather applications.
Spherical Coordinate Remapping and Interpolation Package (SCRIP) is a package for computing interpolation and regridding weights for fields on the surface of a sphere. It supports conservative and other interpolation algorithms.
1-dimensional Eulerian Vlasov-Maxwell solver, used primarily for studies of kinetic effects in plasma waves and for stimulated Raman scattering.
A fully developed set of DNA sequence assembly (Gap4 and Gap5), editing and analysis tools (Spin) for Unix, Linux, MacOSX and MS Windows.
FLENS (Flexible Library for Efficient Numerical Solutions) is a C++ library for scientific computing. It can be considered as a very convenient and --- at the same time --- extremely efficient interface for BLAS and LAPACK. But it is much more than this
Cantera is a suite of object-oriented software tools for problems involving chemical kinetics, thermodynamics, and/or transport processes. It can be used from MATLAB, Python, C++, or Fortran.
IFEFFIT is a library and set of interactive programs for the analysis of x-ray absorption fine-structure (XAFS) data. IFEFFIT combines state-of-the-art analysis algorithms with graphical display of XAFS data, and general data manipulation. It can be
The purpose of SNX is to have a modular series of components that report back to a central repository and 'AI' for pattern recognition and anomoly detection. This is to help with IDS systems, and to move to the next generation of security.
PCP (Pattern Classification Program) is an open-source machine learning program for supervised classification of patterns. PCP is a binary executable running on Linux and Windows (under Cygwin environment).