Unterschiede
Hier werden die Unterschiede zwischen zwei Versionen angezeigt.
| Beide Seiten der vorigen Revision Vorhergehende Überarbeitung Nächste Überarbeitung | Vorhergehende Überarbeitung Letzte Überarbeitung Beide Seiten der Revision | ||
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hlr:phoenix:software [2022/03/21 10:48] matfranz [Software] |
hlr:phoenix:software [2022/03/21 12:35] matfranz [Software] |
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| * [[https://gaussian.com/|Gaussian]] - A general purpose computational chemistry software package.\\ | * [[https://gaussian.com/|Gaussian]] - A general purpose computational chemistry software package.\\ | ||
| * [[https://gomc.eng.wayne.edu/|GOMC]] - A software for simulating molecular systems using the Metropolis Monte Carlo algorithm.\\ | * [[https://gomc.eng.wayne.edu/|GOMC]] - A software for simulating molecular systems using the Metropolis Monte Carlo algorithm.\\ | ||
| + | * [[http://towhee.sourceforge.net/|Towhee]] - A Monte Carlo molecular simulation code originally designed for the prediction of fluid phase equilibria using atom-based force fields.\\ | ||
| Zeile 22: | Zeile 23: | ||
| * [[https://blast.ncbi.nlm.nih.gov/Blast.cgi|BLAST]] - A basic local alignment search tool that finds regions of local similarity between protein or nucleotide sequences.\\ | * [[https://blast.ncbi.nlm.nih.gov/Blast.cgi|BLAST]] - A basic local alignment search tool that finds regions of local similarity between protein or nucleotide sequences.\\ | ||
| * [[https://www.ebi.ac.uk/about/vertebrate-genomics/software/exonerate|Exonerate]] - A generic tool for pairwise sequence comparison with many alignment models, either exhaustive dynamic programming or a variety of heuristics.\\ | * [[https://www.ebi.ac.uk/about/vertebrate-genomics/software/exonerate|Exonerate]] - A generic tool for pairwise sequence comparison with many alignment models, either exhaustive dynamic programming or a variety of heuristics.\\ | ||
| + | * [[https://github.com/ANTsX/ANTs|ANTs]] - A tool for high-dimensional mappings to capture the statistics of brain structure and function.\\ | ||
| + | * [[https://github.com/samtools/|SAMtools]] - A Sequence Alignment/Map format for storing large nucleotide sequence alignments.\\ | ||
| + | * [[http://trimal.cgenomics.org/|trimAl]] - A tool for the automated removal of spurious sequences or poorly aligned regions from a multiple sequence alignment.\\ | ||
| Zeile 36: | Zeile 40: | ||
| * [[https://www.lstc.com/products/ls-dyna|LS-DYNA]] - An advanced general-purpose multiphysics simulation software package, corecompetency is highly nonlinear transient dynamic finite element analysis (FEA) using explicit time integration. \\ | * [[https://www.lstc.com/products/ls-dyna|LS-DYNA]] - An advanced general-purpose multiphysics simulation software package, corecompetency is highly nonlinear transient dynamic finite element analysis (FEA) using explicit time integration. \\ | ||
| * [[https://www.esi-group.com/pam-crash|PAM-CRASH]] - A software package used for crash simulation and the design of occupant safety systems, primarily in the automotive industry.\\ | * [[https://www.esi-group.com/pam-crash|PAM-CRASH]] - A software package used for crash simulation and the design of occupant safety systems, primarily in the automotive industry.\\ | ||
| + | * [[https://github.com/su2code/SU2|SU2]] - An open-source suite for multiphysics simulation and design.\\ | ||
| Zeile 48: | Zeile 53: | ||
| * [[https://eigen.tuxfamily.org/index.php?title=Main_Page|Eigen]] - A C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms.\\ | * [[https://eigen.tuxfamily.org/index.php?title=Main_Page|Eigen]] - A C++ template library for linear algebra: matrices, vectors, numerical solvers, and related algorithms.\\ | ||
| * [[https://www.mathworks.com/products/matlab.html|Matlab]] - A proprietary multi-paradigm programming language and numeric computing environment that allows matrix manipulations, plotting of functions and data, among other things.\\ | * [[https://www.mathworks.com/products/matlab.html|Matlab]] - A proprietary multi-paradigm programming language and numeric computing environment that allows matrix manipulations, plotting of functions and data, among other things.\\ | ||
| + | * [[https://petsc.org/release/|PETSc]] - A suite of data structures and routines for the scalable (parallel) solution of scientific applications modeled by partial differential equations.\\ | ||
| Zeile 68: | Zeile 74: | ||
| * [[https://www.python.org/|Python]] - A high-level, general-purpose programming language.\\ | * [[https://www.python.org/|Python]] - A high-level, general-purpose programming language.\\ | ||
| * [[https://cmake.org/|CMake]] - A cross-platform family of tools designed to build, test and package software.\\ | * [[https://cmake.org/|CMake]] - A cross-platform family of tools designed to build, test and package software.\\ | ||
| - | * [[https://gcc.gnu.org/|GCC]] - GNU Compiler Collection for C, C++, Fortran, Go, Objc, Objc++ and Lto.\\ | + | * [[https://gcc.gnu.org/|GCC]] - A GNU Compiler Collection for C, C++, Fortran, Go, Objc, Objc++ and Lto.\\Â |
| + | * [[https://www.gnu.org/software/make/|Make]] - A GNU tool which controls the generation of executables and other non-source files of a program from the program's source files.\\ | ||
| * [[https://www.open-mpi.org/|OpenMPI]] - An open source Message Passing Interface (MPI) implementation.\\ | * [[https://www.open-mpi.org/|OpenMPI]] - An open source Message Passing Interface (MPI) implementation.\\ | ||
| * [[https://www.mpich.org/|MPICH]] - A high performance and widely portable implementation of MPI.\\ | * [[https://www.mpich.org/|MPICH]] - A high performance and widely portable implementation of MPI.\\ | ||
| * [[https://www.intel.com/content/www/us/en/developer/tools/oneapi/mpi-library.html#gs.sjnaqv|Intel MPI]] - A MPI implementation of Intel with two compiler wrappers (for GCC and for Intel compilers).\\ | * [[https://www.intel.com/content/www/us/en/developer/tools/oneapi/mpi-library.html#gs.sjnaqv|Intel MPI]] - A MPI implementation of Intel with two compiler wrappers (for GCC and for Intel compilers).\\ | ||
| * [[https://mvapich.cse.ohio-state.edu/|MVAPICH]] - A MPI implementation, that particularly performs good on computing systems using InfiniBand and Omni-Path.\\ | * [[https://mvapich.cse.ohio-state.edu/|MVAPICH]] - A MPI implementation, that particularly performs good on computing systems using InfiniBand and Omni-Path.\\ | ||
| + | * [[https://github.com/oneapi-src/oneTBB|Threading Building Blocks (TBB)]] - A C++ template library developed by Intel for parallel programming on multi-core processors.\\ | ||
| * [[https://www.gnu.org/software/binutils/|Binutils]] - A collection of binary tools, e.g. GNU linker, GNU assembler.\\ | * [[https://www.gnu.org/software/binutils/|Binutils]] - A collection of binary tools, e.g. GNU linker, GNU assembler.\\ | ||
| - | * [[https://lists.gnu.org/archive/html/info-gnu/2018-01/msg00005.html|MPC]] - A GNU C library fot the arithmetic of complex numbers with arbitrarily high precision and correct rounding of the result.\\ | + | * [[https://lists.gnu.org/archive/html/info-gnu/2018-01/msg00005.html|MPC]] - A GNU C library for the arithmetic of complex numbers with arbitrarily high precision and correct rounding of the result.\\ |
| * [[https://www.mpfr.org/|MPFR]] - A GNU C library for multiple-precision floating-point computations with correct rounding.\\ | * [[https://www.mpfr.org/|MPFR]] - A GNU C library for multiple-precision floating-point computations with correct rounding.\\ | ||
| + | * [[https://gmplib.org/|GMP]] - A GNU library for arbitrary precision arithmetic.\\ | ||
| * [[https://llvm.org/|LLVM]] - A set of compiler and toolchain technologies, which can be used to develop a front end for any programming language and a back end for any instruction set architecture.\\ | * [[https://llvm.org/|LLVM]] - A set of compiler and toolchain technologies, which can be used to develop a front end for any programming language and a back end for any instruction set architecture.\\ | ||
| * [[https://ccache.dev/|Ccache]] - A compiler cache that speeds up recompilation.\\ | * [[https://ccache.dev/|Ccache]] - A compiler cache that speeds up recompilation.\\ | ||
| Zeile 82: | Zeile 91: | ||
| * [[https://www.intel.com/content/www/us/en/developer/tools/oneapi/advisor.html#gs.sjzmpg|Intel Advisor]] - A design and analysis tool for SIMD vectorization, threading, memory use and GPU offload optimization.\\ | * [[https://www.intel.com/content/www/us/en/developer/tools/oneapi/advisor.html#gs.sjzmpg|Intel Advisor]] - A design and analysis tool for SIMD vectorization, threading, memory use and GPU offload optimization.\\ | ||
| * [[https://julialang.org/|Julia]] - A general-purpose, high-level, high-performance, dynamic programming language. Many features are well suited for numerical analysis and computational science.\\ | * [[https://julialang.org/|Julia]] - A general-purpose, high-level, high-performance, dynamic programming language. Many features are well suited for numerical analysis and computational science.\\ | ||
| + | * [[https://www.lua.org/|Lua]] - A powerful, efficient, lightweight, embeddable scripting language. It supports procedural programming, object-oriented programming, functional programming, data-driven programming, and data description.\\ | ||
| * [[https://www.gnu.org/software/dejagnu/|DejaGnu]] - A framework for testing other programs. Its purpose is to provide a single front end for all tests.\\ | * [[https://www.gnu.org/software/dejagnu/|DejaGnu]] - A framework for testing other programs. Its purpose is to provide a single front end for all tests.\\ | ||
| * [[https://www.sourceware.org/gdb/|GNU Debugger (GDB)]] - A portable debugger that works for many programming languages.\\ | * [[https://www.sourceware.org/gdb/|GNU Debugger (GDB)]] - A portable debugger that works for many programming languages.\\ | ||
| Zeile 87: | Zeile 97: | ||
| * [[https://github.com/westes/flex|Flex]] - A fast lexical analyzer generator to recognize lexical patterns in text.\\ | * [[https://github.com/westes/flex|Flex]] - A fast lexical analyzer generator to recognize lexical patterns in text.\\ | ||
| * [[https://www.gnu.org/software/libc/|GNU C Library (glibc)]] - A library that provides the core libraries for the GNU system.\\ | * [[https://www.gnu.org/software/libc/|GNU C Library (glibc)]] - A library that provides the core libraries for the GNU system.\\ | ||
| + | * [[https://developer.nvidia.com/cuda-zone|CUDA]] - A parallel computing platform and programming model developed by NVIDIA for general computing on graphical processing units (GPUs).\\ | ||
| Zeile 99: | Zeile 110: | ||
| * [[https://www.paraview.org|ParaView]] - An interactive data analysis and visualisation tool with 3D rendering capability.\\ | * [[https://www.paraview.org|ParaView]] - An interactive data analysis and visualisation tool with 3D rendering capability.\\ | ||
| + | * [[https://visit-dav.github.io/visit-website/index.html|VisIt]] - An interactive parallel visualization and graphical analysis tool for viewing scientific data.\\ | ||
| + | * [[https://vtk.org/|VTK]] - A visualization toolkit for manipulating and displaying scientific data.\\ | ||
