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  2. List of quantum chemistry and solid-state physics software

    en.wikipedia.org/wiki/List_of_quantum_chemistry...

    List of software for Monte Carlo molecular modeling; Comparison of software for molecular mechanics modeling; Molecular design software; Molecule editor; Molecular modeling on GPUs; List of software for nanostructures modeling; Semi-empirical quantum chemistry method; Computational chemical methods in solid-state physics, with periodic boundary ...

  3. List of numerical-analysis software - Wikipedia

    en.wikipedia.org/wiki/List_of_numerical-analysis...

    LabPlot is a data analysis and visualization application built on the KDE Platform. MFEM is a free, lightweight, scalable C++ library for finite element methods. Origin, a software package that is widely used for making scientific graphs. It comes with its own C/C++ compiler that conforms quite closely to ANSI standard.

  4. Comparison of numerical-analysis software - Wikipedia

    en.wikipedia.org/wiki/Comparison_of_numerical...

    Integrated data analysis graphing software for science and engineering. Flexible multi-layer graphing framework. 2D, 3D and statistical graph types. Built-in digitizing tool. Analysis with auto recalculation and report generation. Built-in scripting and programming languages. Perl Data Language: Karl Glazebrook 1996 c. 1997 2.080 28 May 2022: Free

  5. List of free geology software - Wikipedia

    en.wikipedia.org/wiki/List_of_free_geology_software

    This is a list of free and open-source software for geological data handling and interpretation. The list is split into broad categories, depending on the intended use of the software and its scope of functionality. Notice that 'free and open-source' requires that the source code is available and users are given a free software license.

  6. NumWorks - Wikipedia

    en.wikipedia.org/wiki/NumWorks

    The software on the calculator is updated on a monthly cycle. Updates can be downloaded to the calculator from its website using WebUSB or by building the operating system from its direct source. The NumWorks calculator also includes an "exam mode" which removes all Python programs, resets all apps, and disables certain features.

  7. List of optimization software - Wikipedia

    en.wikipedia.org/wiki/List_of_optimization_software

    The use of optimization software requires that the function f is defined in a suitable programming language and connected at compilation or run time to the optimization software. The optimization software will deliver input values in A , the software module realizing f will deliver the computed value f ( x ) and, in some cases, additional ...

  8. Comparison of software for molecular mechanics modeling

    en.wikipedia.org/wiki/Comparison_of_software_for...

    High performance GPU-accelerated ab initio molecular dynamics and TD/DFT software package for very large molecular or even nanoscale systems. Runs on NVIDIA GPUs and 64-bit Linux, has heavily optimized CUDA code. Proprietary, trial licenses available PetaChem LLC: TINKER: I Yes Yes Yes Yes I I Yes Yes Software tools for molecular design-Tinker ...

  9. KNIME - Wikipedia

    en.wikipedia.org/wiki/KNIME

    KNIME (/ n aɪ m / ⓘ), the Konstanz Information Miner, [2] is a free and open-source data analytics, reporting and integration platform.KNIME integrates various components for machine learning and data mining through its modular data pipelining "Building Blocks of Analytics" concept.