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  1. deepqmc/deepqmc deepqmc/deepqmc Public

    Deep learning quantum Monte Carlo for electrons in real space

    Python 359 61

  2. pyberny pyberny Public

    Molecular structure optimizer

    Python 113 21

  3. libmbd/libmbd libmbd/libmbd Public

    Many-body dispersion library

    Fortran 52 18

  4. xml2struct xml2struct Public

    Fast XML reader for Matlab

    C++ 5 1

  5. knitj knitj Public

    Alternative front-end to Jupyter kernels

    Python 49 1

  6. mona mona Public

    Calculation framework

    Python 13