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  1. compchem_start compchem_start Public

    How to get started with computational chemistry research. Directed to new people in our lab, may be useful in general.

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  2. PyEnergyDiagrams PyEnergyDiagrams Public

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    This is a simple script to plot energy profile diagrams using Python and matplotlib.

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  3. scripts4compchem scripts4compchem Public

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  4. simulation_of_biosystem_exercise simulation_of_biosystem_exercise Public

    Exercise for the modeling of biological systems course.

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  5. molmod molmod Public

    Forked from molmod/molmod

    MolMod is a collection of molecular modelling tools for python.

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  6. qmflows qmflows Public

    Forked from SCM-NV/qmflows

    This library tackles the construction and efficient execution of computational chemistry workflows

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