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  1. SchNet-vdW SchNet-vdW Public

    ASE interface to perform dispersion-inclusive geometry optimizations with SchNet interatomic potentials

    Python 4 2

  2. dfttoolkit dfttoolkit Public

    Python routines for pre- and post-processing DFT calculations

    Python 5

  3. deltascf-aims deltascf-aims Public

    An application to automate core level spectroscopy simulations in FHI-aims

    Python 6 1

  4. LightMatter.jl LightMatter.jl Public

    A package to simulate the electronic and temperature effects of light illumination on a metal.

    Julia 2

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