Projects

IPython

IPython: Productive Interactive Computing IPython provides a rich toolkit to help you make the most out of using Python interactively. Its main components are: - Powerful interactive Python shells (terminal-, Qt- and web-based). - Support for interactive data visualization and use of GUI ... [More] toolkits. - Flexible, embeddable interpreters to load into your own projects. - Tools for high level and interactive parallel computing. [Less]

ScUtil

Hundreds of functions of a variety of topics, from statistics to string parsing, module utilities to network tools. Everyone's pet library accumulates features over time. My erlang library got big, fast. I often find myself giving functions from it out to other people, and a lot of my other ... [More] libraries are dependant on ScUtil in various ways, so I figured what the hell, let's give it away. This library is believed to be efficiently implemented at all points. Efficiency tips are, however, both appreciated and taken seriously. ScUtil uses the TestErl library for unit, regression and stochastic testing. ScUtil is free and MIT licensed, because the GPL is evil. ScUtil is written by John Haugeland, from http://fullof.bs/ . [Less]

GROMACS

GROMACS is a versatile package to perform molecular dynamics, i.e. simulate the Newtonian equations of motion for systems with hundreds to millions of particles. It is primarily designed for biochemical molecules like proteins, lipids and nucleic acids that have a lot of complicated bonded ... [More] interactions, but since GROMACS is extremely fast at calculating the nonbonded interactions (that usually dominate simulations) many groups are also using it for research on non-biological systems, e.g. polymers. [Less]

HPX

The goal for HPX is to create a high quality, freely available, open source implementation of the ParalleX model for conventional systems, such as classic Linux based Beowulf clusters or multi-socket highly parallel SMP nodes. At the same time, we want to have a very modular and well designed ... [More] runtime system architecture which would allow us to port our implementation onto new computer system architectures. We use real world applications to drive the development of the runtime system, coining out required functionalities and converging onto an stable API which will provide a smooth migration path for developers. The API exposed by HPX is modelled after the interfaces defined by the C++11 ISO standard and adheres to the programming guidelines used by the Boost collection of C++ libraries. [Less]

ESPResSo Soft Matter Simulation Software

claimed by Max Planck Institute for Polymer Research

ESPResSo is a highly versatile software package for scientific simulations and analysis of coarse-grained atomistic or bead-spring models as they are used in soft matter research, with emphasis on charged systems.

ESPResSo++

claimed by Max Planck Institute for Polymer Research

ESPResSo++ is a highy versatile, parallelized, scientific simulation software for coarse-grained simulations of atomic and molecular systems. ESPResSo++ is the descendant of the ESPResSo simulation software. It is implemented in C++ and controlled via Python.

Portable Computing Language

Portable OpenCL is an open source implementation of the OpenCL standard which can be easily adapted for new targets. One of the goals of the project is improving performance portability of OpenCL programs, avoiding the need for target-dependent manual optimizations. A "native" target is ... [More] included, which allows running OpenCL kernels on the host (CPU). [Less]

MPICH

MPICH is a high-performance and widely portable implementation of the Message Passing Interface (MPI) standard. The goals of MPICH are: (1) to provide an MPI implementation that efficiently supports different computation and communication platforms including commodity clusters (desktop systems ... [More] , shared-memory systems, multicore architectures), high-speed networks and proprietary high-end computing systems and (2) to enable cutting-edge research in MPI through an easy-to-extend modular framework for other derived implementations. [Less]

Charm++

A portable adaptive runtime system for parallel applications. Application developers create an object-based decomposition of the problem of interest, and the runtime system manages issues of communication, mapping, load balancing, fault tolerance, and more. Sequential code implementing the ... [More] methods of these parallel objects is written in C++. Calls to libraries in C++, C, and Fortran are common and straightforward. Charm++ is portable across individual workstations, clusters, accelerators (Cell SPEs, GPUs), and supercomputers such as those sold by IBM (Blue Gene, POWER) and Cray (XT3/4/5/6 and XE6). Applications based on Charm++ are used on at least 5 of the 20 most powerful computers in the world. [Less]

Screen

Screen (or SCalable REndering ENgine) is a rendering engine based on both 3D rendering and highly parallel algorithms. It provides powerful scripting interfaces and integrated development environment for 3D games and scientific simulations. Screen is fully written in C++. It can be controlled ... [More] directly in C++ or with configuration files and scripts (XML, Lua, JavaScript). [Less]