pypi.org "CRYSTAL" keyword
tilde 0.9.4
Materials informatics framework for ab initio data repositories3 versions - Latest release: over 6 years ago - 2 dependent repositories - 23 downloads last month - 18 stars on GitHub - 1 maintainer
pycrystal 1.1.0
Utilities for ab initio modeling suite CRYSTAL14 versions - Latest release: 11 months ago - 1 dependent repositories - 143 downloads last month - 11 stars on GitHub - 2 maintainers
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materials
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informatics
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crystal-structure
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crystallography
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ab-initio
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first-principles
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materials-science
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quantum-espresso
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materials-informatics
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VASP
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gaussian-lcao
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gaussian
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emsl
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crystal-ab-initio
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computational-materials
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computational-chemistry
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atomistic-simulations
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abinitio
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