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  • 1
    Facyt-quimicomp
    Software and codes created in "Laboratorio de Química Computacional" of "Facultad de Ciencias y Tecnología" of "Universidad de Carabobo"
    Downloads: 10 This Week
    Last Update:
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  • 2
    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.
    Downloads: 0 This Week
    Last Update:
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  • 3
    FullFun

    FullFun

    A software package for fullerenes and their functionalized derivatives

    ...The CSIOpt program predicts the most stable isomers of charged fullerenes and endohedral metallofullerenes. The XSIOpt program predicts the most stable addition patterns for a given endohedral fullerene C2nX2m. For downloading FullFun, please go to our new web page: https://campusys.qui.uam.es/?page_id=1491
    Downloads: 0 This Week
    Last Update:
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  • 4
    Moved to https://github.com/jmeloranta/libmeas
    Downloads: 0 This Week
    Last Update:
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  • 5
    STochastic Engine for Pathway Simulation
    Stochastic simulator for signaling pathways occuring in biological cells. Handles reaction-diffusion processes in 3D tetrahedral meshes. Please check our new repository: https://github.com/CNS-OIST/STEPS
    Downloads: 0 This Week
    Last Update:
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  • 6
    MDDriver
    [OBSOLETE, check Github repository: https://github.com/LBT-CNRS/MDDriver) MDDriver is a library allowing a user to easily couple molecular visualisation tools with simulation code through a network. It allows to carry out interactive molecular dynamics, visualize simulation results and drive a simulation in interactive time.
    Downloads: 0 This Week
    Last Update:
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  • 7
    This space is not maintained anymore. If you want to get the latest updates on fpocket refer to https://github.com/Discngine/fpocket. Fpocket is a very fast open source protein pocket detection algorithm based on Voronoi tessellation. The platform is suited for the scientific community willing to develop new scoring functions and extract pocket descriptors on a large scale level.
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    Downloads: 16 This Week
    Last Update:
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  • 8
    ParaSim

    ParaSim

    Parallelized calculation of molecular similarities

    ...It does not compute fingerprints by itself but relies on third party software to do so. Basically, all types of structural fingerprints which can be stored in an array of bits (a bitset) can be used by ParaSim. See the Wiki (https://sourceforge.net/p/parasim/wiki/Documentation/) for detailed documentation. FEEDBACK HIGHLY APPRECIATED!
    Downloads: 0 This Week
    Last Update:
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