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  1. pySSpredict pySSpredict Public

    pySSpredict demo on nanoHUB: https://nanohub.org/tools/pysspredict

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    Bayesian-Gaussian Cluster Expansion Acquisition Functions Tools

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    Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments

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    Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments with variable composition functionality

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  5. VaspBandUnfolding VaspBandUnfolding Public

    Forked from QijingZheng/VaspBandUnfolding

    a python class for dealing with VASP WAVECAR.

    Python

  6. p4vasp p4vasp Public

    Forked from orest-d/p4vasp

    p4vasp, the VASP Visualization Tool

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