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Software for enumerating crystal structure prototypes to by used for active learning exploration with DFT and machine learning.

Project description

Protosearch is software that supports the creation of libraries of crystal structures according to structure prototypes derived from the ICSD and OQMD

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protosearch-2020.5.10.tar.gz (61.8 kB view hashes)

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protosearch-2020.5.10-py3-none-any.whl (37.8 MB view hashes)

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