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hlr:phoenix:software [2022/03/21 11:14]
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.\\
  
  
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   * [[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/​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.\\
  
  
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   * [[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.\\
  
  
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   * [[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]] - GNU Compiler Collection for C, C++, Fortran, Go, Objc, Objc++ and Lto.\\ 
 +  * [[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.\\
-  * [[|]] - A GNU library ​ \\+  * [[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.\\
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   * [[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.\\
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   * [[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).\\
  
  
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   * [[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.\\
  
  
hlr/phoenix/software.txt · Zuletzt geändert: 2023/03/01 17:46 von matfranz
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