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

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  • License: Apache Software License (Apache)
  • Author: Kirsten Winther, SUNCAT-Center, TRI-AMDD
  • Maintainer: Kirsten Winther
  • Tags materials, chemistry, science, crystal, density functional theory, energy, AI, artificial intelligence, sequential learning, active learning
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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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  • License: Apache Software License (Apache)
  • Author: Kirsten Winther, SUNCAT-Center, TRI-AMDD
  • Maintainer: Kirsten Winther
  • Tags materials, chemistry, science, crystal, density functional theory, energy, AI, artificial intelligence, sequential learning, active learning
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2020.5.10

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