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  1. gmx_MMPBSA gmx_MMPBSA Public

    Forked from Valdes-Tresanco-MS/gmx_MMPBSA

    gmx_MMPBSA is a new tool based on AMBER's MMPBSA.py aiming to perform end-state free energy calculations with GROMACS files.

    Python

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  3. mmgbsa1 mmgbsa1 Public

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  4. mangeshdamre mangeshdamre Public

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  5. ann_sampling ann_sampling Public

    Forked from hsidky/ann_sampling

    Learning free energy landscapes using artificial neural networks

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  6. vmd-cvs-github vmd-cvs-github Public

    Forked from thatchristoph/vmd-cvs-github

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