Showing 13 open source projects for "linux download"

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  • 1
    OSRA is a utility designed to convert graphical representations of chemical structures and reactions, as they appear in journal articles, patent documents, textbooks, trade magazines etc., into SMILES or SD file format- a computer recognizable molecular structure You can find links to the binary executables here: https://sourceforge.net/p/osra/wiki/Download/
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    Downloads: 46 This Week
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  • 2
    CVSim

    CVSim

    Cyclic Voltammetry Simulation Program for Research and Education

    This a cyclic voltammetry (CV) program created for teaching CV undergraduate chemistry students. For research, download the version from https://sourceforge.net/projects/cvsimplus/ . CVSim uses the implicit method to simulate diffusion. Development of new methods for more accurate simulation of the diffusion is under way. For more details and discussion contact me at akeramid@ucy.ac.cy.
    Downloads: 11 This Week
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  • 3
    JDFTx

    JDFTx

    Joint Density Functional Theory

    JDFTx is a plane-wave density functional theory code designed for electronic structure theory development. One prominent unique capability is the treatment of solvated electronic systems using joint density functional theory. Please see http://jdftx.org for download and compile instructions, tutorials, documentation and citation information.
    Downloads: 0 This Week
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  • 4

    HostDesigner

    General purpose de novo molecular design software

    .... The results are ranked with respect to desired geometric constraints defined by the user. See the User's Manual for further details including a list of literature citations for example applications. Download includes User's Manual, HostDesigner 4.3 source code (in Fortran), data files, example input, HDViewer executables for MacOS, Linux, and Windows, and mengine source code (in C). HostDesigner was developed and posted by author Dr. Benjamin P Hay
    Downloads: 2 This Week
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    Red Hat Enterprise Linux on Microsoft Azure

    Deploy Red Hat Enterprise Linux on Microsoft Azure for a secure, reliable, and scalable cloud environment, fully integrated with Microsoft services.

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  • 5
    chethermo

    chethermo

    Software for Introductory Chemical Engineering Thermodynamics

    Introductory Chemical Engineering Thermodynamics helps readers master the fundamentals of applied thermodynamics as practice today. The text is distinctive in making the molecular perspectives accessible at the introductory level and connecting properties with practical applications. This site distributes the software for the textbook. If you are a 'user', then you want to download the archive from 'Download' icon or the 'Files' link. If you want the latest version of a particular file...
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    Downloads: 23 This Week
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  • 6
    JRC QSAR Model Database

    JRC QSAR Model Database

    (Q)SAR Model Reporting Format Inventory

    ... The QSAR Model Reporting Format (QMRF) is a harmonised template for summarising and reporting key information on QSAR models, including the results of any validation studies. The information is structured according to the OECD validation principles. Download the QMRF Editor in order to describe your models in QMRF format and send the descriptions to JRC-COMPUTOX@ec.europa.eu to have them included in the database. More at http://qmrf.sourceforge.net/
    Downloads: 0 This Week
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  • 7
    Periodic Table Of Elements 4 Mathematica

    Periodic Table Of Elements 4 Mathematica

    generates nice period table from given data

    PTE-1.5 is for Mathematica 11.1 PTE-1.4 and prev for Mathematica 4.0 linux PTE (among other things) generates periodic tables from variable data (the data and layout can be changed for a particular subject). Includes Pauli Exclusion makers and some data. Charts can be browsed with an iPhone nicely (may need .jpg, .gif nicer). It's printable at a small size. This chart is neat, compact to print, yet has plenty of data. Layout change un-restricted but is non-interactive. which is good...
    Downloads: 0 This Week
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  • 8

    XDrawChem

    XDrawChem is an application for chemistry drawing and analysis.

    XDrawChem is an application for drawing and analyzing chemical structures and reactions. Please visit the website for full details. Download source and binary releases here, and clone the source from GitHub at the external link above.
    Downloads: 24 This Week
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  • 9
    Gecko Hamaker

    Gecko Hamaker

    Calculates Hamaker coefficient,interaction free energy,force,torque.

    ... for download and as a web service and makes available the full spectral optical properties of over 150 materials from both ab initio calculations and experimental measurements.
    Downloads: 0 This Week
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  • 10

    quichem

    Utilities for fast input of chemical formulae and equations.

    *** New releases of quichem will only be available on GitHub. *** quichem is a utility written in pure Python allowing for fast input and parsing of chemical formulae and equations. Entering data does not require any modifier keys or keystrokes to be pressed. This SourceForge page provided pre-built Windows binaries of quichem-pyside. **To run quichem on Mac OS X or Linux**, or with the wxPython front-end, please download the source from quichem's GitHub page at: github.com/spamalot...
    Downloads: 0 This Week
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  • 11

    nwhess2freq

    Calculates frequencies/modes from an nwchem generated hessian

    ... for instructions. Installation: Simply download the file and start Octave in the download directory.
    Downloads: 0 This Week
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  • 12
    Using the CUDA API this project modifies the AutoDock software to run in parallel on NVIDIA GPUs. Users will be able to download and compile the code and use AutoDock on CUDA capable Graphics Cards. Autodock is located at http://autodock.scripps.edu/
    Downloads: 0 This Week
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  • 13
    Chemical Evaluation Framework (CEF) is a molecular structure based software to assist in hazard assessment. Download requires Java 6 update 1. Source code is contained in jar files. Download contains GSH reactivity plugin.
    Downloads: 0 This Week
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