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Showing 3 open source projects for "art"

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    ERmod

    Approximate solvation free energy calculator

    ...Phys. 113, 6070 (2000)). The program allows users to calculate the solvation free energy to arbitrary solvents, including inhomogeneous systems, and can run in cooperation with state-of-art molecular simulation software, such as LAMMPS, GROMACS and/or AMBER.
    Downloads: 10 This Week
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    IFEFFIT is a library and set of interactive programs for the analysis of x-ray absorption fine-structure (XAFS) data. IFEFFIT combines state-of-the-art analysis algorithms with graphical display of XAFS data, and general data manipulation. It can be
    Downloads: 29 This Week
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  • 3
    CT8K is an experimental quantum chemistry program intended to bring state of the art methods to the desktop PC
    1 Review
    Downloads: 0 This Week
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