10 projects for "gnu linux" with 2 filters applied:

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  • 1
    Avogadro

    Avogadro

    An intuitive molecular editor and visualization tool

    Avogadro is an advanced molecular editor designed for cross-platform use in computational chemistry, molecular modeling, bioinformatics, materials science and related areas. It offers a flexible rendering framework and a powerful plugin architecture.
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    Downloads: 1,403 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: 2 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
    RMGDFT

    RMGDFT

    Real Space Multigrid based electronic structure code.

    News: active RMG development has moved to github https://github.com/RMGDFT News: V4.1.0 released on 09/29/2020 News: V4.0.0 released on 09/01/2020 with major updates. News: V3.0.0 released on 06/09/2018 with major updates. News: V2.2.2 released on 10/14/2017 with minor bug fixes. News: V2.2 with performance enhancements, bug fixes and new features released on 06/26/2017. Sources are available with binaries to follow soon. News: V2.1 with many improvements released on...
    Downloads: 0 This Week
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    Stop Storing Third-Party Tokens in Your Database

    Auth0 Token Vault handles secure token storage, exchange, and refresh for external providers so you don't have to build it yourself.

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  • 5

    htcontrol

    controls high-temperature single-crystal XRD experiments using IPDSII

    htcontrol is a software to control high-temperature single crystal XRD experiments on a STOE IPDS II or 2T diffractometer platform. A Manson SDP2210 power unit is needed as well as the ICP DAS I7019 data acquisition interface (amount of investment approx. 600 EUR). htcontrol is written in Perl and runs on a cygwin platform to be installed on the WinXP/10 host. Data collections are performed with Stoe's WinXpose (>=1.7.3) via the non-interactive XML interface. For details see: J. Appl....
    Downloads: 1 This Week
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  • 6
    I.S.A.A.C.S. Interactive Structure Analysis of Amorphous and Crystalline Systems is a cross-platform software developed to analyze the structural characteristics of three-dimensional models built by computer simulations.
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    Downloads: 23 This Week
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  • 7
    Downloads: 0 This Week
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  • 8
    pyxaid

    pyxaid

    PYthon eXtension for Ab Initio Dynamics

    Downloads: 0 This Week
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  • 9
    NanoHive Nanospace Simulator
    NanoHive is a modular simulator used for modelling the physical world at a nanometer scale. The intended purpose of the simulator is to act as a tool for the study and development of nanotech entities. The project will also focus on the simulation of complex biological applications such as Targeted Drug Delivery by simulating nanowires, magnetic nanoparticles and others. Updates will follow from January 2017.
    Downloads: 0 This Week
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    Train ML Models With SQL You Already Know

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  • 10
    JOELib/JOELib2 is a cheminformatics library which supports SMARTS substructure search, descriptor calculation, processing/filtering pipes, conversion of file formats, 100% pure Java, and interfaces to external programs (e.g. Ghemical) are available.
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    Downloads: 0 This Week
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