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GROMACS
Analyzed 25 days ago
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
Licenses:
lgpl21
NWChem
No analysis available
NWChem aims to provide its users with computational chemistry tools that are scalable both in their ability to treat large scientific computational chemistry problems efficiently, and in their use of available parallel computing resources from high-performance parallel supercomputers to conventional workstation clusters.
Mostly written in language not available
Licenses:
ecl2
pycuda
Analyzed 25 days ago
PyCuda is licensed to you under the MIT/X Consortium license:
Copyright (c) 2008 Andreas Klöckner
Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the “Software”), to deal in the Software without restriction
nvidia-texture-tools
N
Analyzed 25 days ago
The NVIDIA Texture Tools is a collection of image processing and texture manipulation tools, designed to be integrated in game tools and asset conditioning pipelines.
The primary features of the library are mipmap and normal map generation, format conversion and DXT compression.
DXT
Thrust: Parallel Template Library
No analysis available
Thrust is a CUDA library of parallel algorithms with an interface resembling the C++ Standard Template Library (STL). Thrust provides a flexible high-level interface for GPU programming that greatly enhances developer productivity. Develop high-performance applications rapidly with Thrust!
Mostly written in language not available
Licenses:
apache_2
CP2K
Analyzed 24 days ago
CP2K is a program to perform atomistic and molecular simulations of solid state, liquid, molecular, and biological systems. It provides a general framework for different methods such as e.g., density functional theory (DFT) using a mixed Gaussian and plane waves approach (GPW) and classical pair and
ESPResSo Soft Matter Simulation Software
Analyzed 9 months ago
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.
Licenses:
gpl3_or_l...
accelerate-cuda
A
Analyzed 25 days ago
Accelerate backend for NVIDIA GPUs
Licenses:
No declared licenses
cudpp
C
Analyzed 25 days ago
CUDPP is the CUDA Data Parallel Primitives Library. CUDPP is a library of data-parallel algorithm primitives such as parallel prefix-sum (”scan”), parallel sort and parallel reduction. Primitives such as these are important building blocks for a wide variety of data-parallel algorithms, including
NiftyReg
Analyzed 25 days ago
This project, developed at University College London, contains programs to perform rigid, affine and non-linear registration of nifti or analyse images. Two versions of the algorithms are included, a CPU- and a GPU- (using CUDA) based implementation.