Research Scientist @LLNL
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pymatgen
pymatgen PublicForked from materialsproject/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…
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aiida-core
aiida-core PublicForked from aiidateam/aiida-core
The official repository for the AiiDA code
Python
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merlin-spellbook
merlin-spellbook PublicForked from LLNL/merlin-spellbook
Useful utilities for merlin workflows!
Python
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