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Pinned

  1. luechow-group/Amolqc luechow-group/Amolqc Public

    Atoms and molecules with quantum Monte Carlo.

    Fortran 8 3

  2. luechow-group/inPsights luechow-group/inPsights Public

    Chemical insights from probability density analysis.

    C++ 4 3

  3. Molekel Molekel Public

    Fortran 3

  4. Audito Audito Public

    Automatic differentiation for Fortran

    Fortran 10

  5. Molara-Lab/Molara Molara-Lab/Molara Public

    Molara is a Python package for the visualization of chemical structures such as molecules or crystals. It provides a graphical user interface for importing structures from output files of popular …

    Python 11