112 projects for "calculation" with 2 filters applied:

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  • 1
    relax

    relax

    Molecular dynamics by NMR data analysis

    The software package 'relax' is designed for the study of molecular dynamics through the analysis of experimental NMR data. Organic molecules, proteins, RNA, DNA, sugars, and other biomolecules are all supported. It supports exponential curve fitting for the calculation of the R1 and R2 relaxation rates, calculation of the NOE, reduced spectral density mapping, the Lipari and Szabo model-free analysis, study of domain motions via the N-state model and frame order dynamics theories using anisotropic NMR parameters such as RDCs and PCSs, the investigation of stereochemistry in dynamic ensembles, and the analysis of relaxation dispersion data.
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    Downloads: 16 This Week
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  • 2
    schur

    schur

    Interactive Program For Calculating Properties Of Symmetric Functions

    Schur is a standalone program for interactively calculating properties of Lie groups and symmetric functions. Schur has been designed to answer questions of relevance to a wide range of problems of interest to chemists, mathematicians, computer scientists,...
    Downloads: 0 This Week
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  • 3

    zkcm

    A C++ library for multiprecision complex-number matrix calculations.

    zkcm library is a C++ library for multi-precision complex-number matrix calculations. It provides a number of functionalities including the LU decomposition, the singular value decomposition, tensor product calculation, tracing-out operations, etc.
    Downloads: 0 This Week
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  • 4

    computem

    Transmission Electron Microscope Image Simulation

    ...The fundamental theory and usage are described in "Advanced Computing in Electron Microscopy" (Springer 2020) and Acta Cryst. A72 (2016) p. 1 by Earl J. Kirkland. Please refer to these for the theory of calculation and how to use these programs. computem uses a GUI and the temsim group uses a command line interface. The user is assumed to have some understanding of optics, Fourier transforms, electron microscopy and computer skills at the graduate or advanced undergraduate level. Click on "Files" to download Windows and Mac binary executable files or source code. ...
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    Downloads: 1 This Week
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  • 5
    AMBIT:Chemical Structure DB&Web Service

    AMBIT:Chemical Structure DB&Web Service

    Chemical structures database & machine learning with web services API

    AMBIT offers a cheminformatics data management for chemical substances, structures and nanomaterials. Flexible structure, similarity and study queries storage, descriptor calculation and predictive models building via REST web services.User interface for creating read across assessment and generating reports, aligned with regulatory and industrial requirements. Command line applications also available. Integration with third party tools and databases.
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    Downloads: 3 This Week
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  • 6
    rechne.exe

    rechne.exe

    Command-line calculator and libray.

    Easy-to-use command-line calculator for basic and scientific calculations.
    Downloads: 1 This Week
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  • 7
    GluCat: Clifford algebra templates

    GluCat: Clifford algebra templates

    Calculation with Clifford algebras: C++ library and Python module

    GluCat is a generic library of C++ templates that implement universal Clifford algebras over the field of real numbers. The PyClical extension module for Python gives users an easy Python scripting interface for calculations in Clifford algebras. The name PyClical is an homage to Pertti Lounesto's CLICAL.
    Downloads: 0 This Week
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  • 8
    TRURL

    TRURL

    A suite of RPN calculators and a class library for Object Pascal

    ...Additionally, it comes with a free reusable class library (RPN Engine) as a toolbox for creating your own calculator. TRURL is an acronym for "TRURL is a Reusable Universal RPN Library". Class Libraries: • RPN Engine: Full-featured calculation engine for Pascal-based RPN calculators • Segmitator: Library for virtual seven-segment displays Applications: • TRURL A: Simple demo app for the RPN Engine • TRURL B: RPN calculator in the design of the famous calculators by Dieter Rahms for Braun • TRURL G: Desktop RPN calculator inspired by the UI of the DSKY unit of the Apollo Guidance Computer (AGC)
    Downloads: 4 This Week
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  • 9
    ransfoil

    ransfoil

    console to calculate airflow around an airfoil based on RANS approach

    ...In addition, the coupling between airflow and heat transfer and the effect of surface roughness on near wall flow are considered by this program, it can be used for engineering calculation of the friction drag and heat transfer coefficients on airfoil surface. RANSFOIL reads coordinates data from a 1D XYZ file which describes the grid points or control points on airfoil as only input, then outputs grid and solution files in 2D PLOT3D format to record grid coordinates and airflow data and a report file to show aerodynamic parameters.
    Downloads: 2 This Week
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  • 10
    EdytorNC
    ...ProgramManager is a program that makes it easy to search for cnc programs based on, for example, part number, part name contained in the first three comments in the cnc program. Some EdytorNC features : bolt holes calculation; solutions of triangles calculation; speed, feed calculation; conversion inch/mm, mm/inch; code colouring; RS232 data transmission with automatic file saving and possibility to download new CNC program directly from machine (beta function, look in tool tips in serial port configuration dialog). Clipboard to keep texts from system clipboard.
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    Downloads: 31 This Week
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  • 11

    GenForm

    Generation of molecular formulas by high-resolution MS and MS/MS data

    This is an open source implementation of molecular formula calculation by high resolution MS and MS/MS data as described in M. Meringer, S. Reinker, J. Zhang, A. Muller: MS/MS Data Improves Automated Determination of Molecular Formulas by Mass Spectrometry. MATCH Commun. Math. Comput. Chem. 65, 259-290, 2011. The software user manual is available here: https://www.researchgate.net/publication/307964728_MOLGEN-MSMS_Software_User_Manual Example MS and MS/MS data files for GenForm can be downloaded here: https://sourceforge.net/p/genform/code/HEAD/tree/trunk/data/ A first program call could look like this: GenForm ms=SinapinicAcidMs.txt msms=SinapinicAcidMsMs.txt exist out
    Downloads: 0 This Week
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  • 12

    SidClock

    *nix Sidereal Clock

    *nix Sidereal Clock Application
    Downloads: 0 This Week
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  • 13

    CoolingPower

    Print Steam Tables; Plot diagrams and cycles from equations of state

    CoolingPower is NOT in a condition for use at this time. A couple of bugs have been discovered that severely affect the calculation accuracy. While I troubleshoot, use at your own risk. Once completed, CoolingPower will have the capability to plot diagrams of thermodynamic properties, construct Steam Tables, and plot thermodynamic cycles. Initial fluid will be water/steam, but functionality will extend to include a variety of working fluids. CoolingPower operates in GUI format and, for Unix-based machines, from the terminal. ...
    Downloads: 0 This Week
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  • 14
    Gabedit is a Graphical User Interface for FireFly (PC-Gamess), Gamess-US, Gaussian, Molcas, Molpro, MPQC, NWChem, OpenMopac, Orca, PSI4 and Q-Chem computational chemistry packages.
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    Downloads: 131 This Week
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  • 15
    NumericalChameleon

    NumericalChameleon

    a free cross platform precise unit converter, supports 6000+ units

    The NumericalChameleon is a free, open source, cross platform software in order to convert units. It converts numbers with a precision of up to 1000 significant figures. It supports more than 6000 units in 94 categories. It has been localized in 10 languages.
    Downloads: 12 This Week
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  • 16
    QMForge reads output from various quantum mechanical calculations and provides tools for analyzing these results. Specifically, population (Mulliken and C-squared), fragment, and charge decomposition analyses are available. See https://qmforge.net for more info.
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    Downloads: 0 This Week
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  • 17
    Olex2 is visualisation software for small-molecule crystallography developed at Durham University/EPSRC. It provides comprehensive tools for crystallographic model manipulation for the end user and an extensible development framework for programmers. The project has been supported by Olexsys Ltd since 2010.
    Downloads: 0 This Week
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  • 18
    Mavscript

    Mavscript

    Calculations in a text document

    Mavscript allows the user to do calculations in a text document. Plain text, LaTeX and OpenOffice Writer files (.odt) are supported. The calculation is done by the algebra system Yacas (default), Jasymca or by the Java interpreter BeanShell.
    Downloads: 0 This Week
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  • 19
    An R package for metrology. metRology provides classes and calculation and plotting functions for metrology applications, including measurement uncertainty estimation and (eventually) inter-laboratory metrology comparison studies.
    Downloads: 0 This Week
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  • 20
    Numerics for Chemical Engineering

    Numerics for Chemical Engineering

    Numerical models for chemical and process engineering

    NCE Calculation Framework is a library of routines, models and data applicable to chemical and process engineering calculations, written in Java. -- NEW -- www.chesolver.com *ONLINE CALCULATORS*. A set of solvers to perform calculations consistently on any device, from smart-phone to desktop. The project includes the following ready to use software all based on the same core library: * Online Calculators at www.chesolver.com * Extensions for Libreoffice/Openoffice Calc spreadsheet: - NCE: https://extensions.libreoffice.org/extensions/nce - NCE-Units: https://extensions.libreoffice.org/extensions/nce-units Check out also our video channel: https://www.youtube.com/channel/UCt2EGdw33k2u19PnZAi8YJA
    Downloads: 1 This Week
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  • 21

    groundcad

    CAD 2D for Land Surveying and Civil

    Operating System : Windows - Linux - Mac OS Drawing 2D Point Line Polygon Rectangle Circle Ellipse Text,Image with thickness,color,hatch... Drawing commands : rotation,scale,explode... Labeling Point Line Polygon Rectangle Circle (Name Code Comment XYZ Length Angle Area Radius ...) Area Calculation by points or by object. Import-Export module : Image bmp,jpg,png CSV TXT SVG DXF R12 SOKKIA SDR33 TOPCON FC4 GTS7 XML LANDXML LEICA GSI8 GSI16
    Downloads: 1 This Week
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  • 22
    JPIV

    JPIV

    Particle Image Velocimetry

    JPIV is a platform independent, graphical stand-alone application for Particle Image Velocimetry (PIV) written in Java. PIV is an optical technique for measuring fluid flow velocities. JPIV moved to GitHub. Please visit us at: https://eguvep.github.io/jpiv/
    Downloads: 0 This Week
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  • 23
    CamShaft
    Calculation of camshafts - allows to define a camshaft profile on the set trajectory which should provide the given mechanism. The trajectory can be set graphically, co-ordinates or function.
    Downloads: 3 This Week
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  • 24
    HistoryCal

    HistoryCal

    A calculator to work with historical dates and calendars.

    ...The calculator also has a script language that allows you to create variations of the built-in calendars: calendars that shift the new year to a different day; hybrid calendars that switch between schemes; local observational calendars that depend on a particular location; year counts that change for specific eras (regnal calendars) and calendars that require adjustment due to subtle differences in calculation.
    Downloads: 0 This Week
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  • 25

    cgtkcalc

    A simple calculator for complex number calculation.

    A simple scientific calculator for complex number calculation. It requires the GTK+ toolkit.
    Downloads: 3 This Week
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