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pySSpredict
pySSpredict PublicpySSpredict demo on nanoHUB: https://nanohub.org/tools/pysspredict
Jupyter Notebook 6
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BGO-CE_Acquisition_Tools
BGO-CE_Acquisition_Tools PublicBayesian-Gaussian Cluster Expansion Acquisition Functions Tools
Python 1
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ChemDASH
ChemDASH PublicForked from lrcfmd/ChemDASH
Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
Python
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vc-ChemDASH
vc-ChemDASH PublicForked from lrcfmd/vc-ChemDASH
Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments with variable composition functionality
Python 1
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VaspBandUnfolding
VaspBandUnfolding PublicForked from QijingZheng/VaspBandUnfolding
a python class for dealing with VASP WAVECAR.
Python
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