81 projects for "calculation" with 2 filters applied:

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    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: 5 This Week
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  • 2

    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: 0 This Week
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  • 3
    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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  • 4
    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: 2 This Week
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  • 5
    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: 23 This Week
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  • 6

    SidClock

    *nix Sidereal Clock

    *nix Sidereal Clock Application
    Downloads: 0 This Week
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  • 7

    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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  • 8
    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: 120 This Week
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  • 9
    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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  • 10
    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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  • 11
    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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  • 12
    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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  • 13
    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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  • 14
    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: 0 This Week
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  • 15
    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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  • 16
    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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  • 17
    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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  • 18

    COPanno

    COPanno optimizes the panels cuts.

    COPanno is now at http://download.tuxfamily.org/copanno/ COPanno is a small utility to find the best solution for cutting rectangular panels in a defined-size sheet. * v1.2 Introduce multi-threading (calculation is up to 8 times faster) and internationalization support. English and French translations are done. * v1.3 Add per panel orientation keeping Copanno est un utilitaire de calepinage donnant la meilleure manière de découper des panneaux rectangulaire dans une feuille de dimension définie. * v1.2 Le calcul parallèle permet d'accélérer le traitement sur les ordinateurs multi-cœurs. ...
    Downloads: 0 This Week
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  • 19
    disp2sif

    disp2sif

    Stress intensity factor (SIF) calculation from crack tip displacements

    The code implements Muskhelishvili's complex function approach to calculate 2D stress intensity factors (modes I+II) from crack tip displacement fields. Surface displacements can be used with a plane stress elastic model. The code uses power/Fourier series expansion and a conformal mapping of an ellipse onto a circle.
    Downloads: 0 This Week
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  • 20
    SWRC Fit is a scientific tool for hydrologist. It fits several soil hydraulic models to measured soil water retention data by nonlinear fitting. It is written in numerical calculation language GNU Octave. Web interface is also available.
    Downloads: 0 This Week
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  • 21

    erf

    error function and related functions in pure standard Fortran 2008

    Fortran 2008 added 3 new intrinsic functions: erf, erfc, erfc_scaled. However, they take only real arguments. This package provides a BSD licensed Fortran 2008 module with erf(z), where z is a complex argument. The calculation is based on calculating w(z), the Faddeyeva (plasma dispersion) function. Two algorithms are implemented: TOMS 680 and 916, http://www.netlib.org/toms/. The simple test program calculates values in the Abramowitz, Stegun.
    Downloads: 0 This Week
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  • 22
    Several RNA and protein structure volume calculation tools.
    Downloads: 1 This Week
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  • 23
    program.MODULAR

    program.MODULAR

    MODULAR: Autonomous Computation of Modularity

    MODULAR is a software developed to perform rapid and automatic calculation of modularity in sets of networks. MODULAR reads a set of text files with bipartite or adjacency binary matrices representing networks. The software can identify and define modules by two different modularity metrics widely used in studies with different types of networks such as social, ecological and biochemical networks. In order to find the network partition that maximizes modularity, the software offers five optimization methods to the user: simulated annealing, fast greedy, spectral partitioning, a hybrid of fast greedy and simulated annealing, and a hybrid of spectral partitioning and simulated annealing. ...
    Downloads: 1 This Week
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  • 24

    Pi-Space Physics Software

    A Physics Theory for Unifying Classical, Quantum and Relativistic Phys

    This is the Official Software of the Pi-Space Physics Theory created by Martin Brady. I have a B.Sc. in Computer Applications from Dublin City University and I have an interest in software implementation of Physics. The Theory includes a Quantum Theory of Gravity as well as a reworking of Classical versions of Newton's Formulas. The Theory is based on a set of Relativistic Diagrams called Pi-Space Diagrams for those new to the Theory. License :: Creative Commons Attribution...
    Downloads: 0 This Week
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  • 25
    FermiFab
    Repository moving to https://github.com/cmendl/fermifab ! A quantum physics toolbox for small fermionic systems. Keywords: quantum mechanics, reduced density matrices, Slater determinants, second quantization, creation and annihilation operators
    Downloads: 0 This Week
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