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  1. ChemDASH ChemDASH Public

    Forked from lrcfmd/ChemDASH

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

    Python 1

  2. vc-ChemDASH vc-ChemDASH Public

    Forked from Dongsheng-Wen/vc-ChemDASH

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

    Python 1

  3. Phonopy-Spectroscopy Phonopy-Spectroscopy Public

    Forked from skelton-group/Phonopy-Spectroscopy

    A collection of tools for simulating vibrational spectra, which interfaces with the Phonopy package.

    Python