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IoP, CAS
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pymatgen
pymatgen PublicForked from materialsproject/pymatgen
Python materials analysis library powering the Materials Project
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MPWorks
MPWorks PublicForked from materialsproject/MPWorks
merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project
Python
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mdgo
mdgo PublicForked from HouGroup/mdgo
A codebase for classical molecular dynamics (MD) simulation setup and results analysis.
Python
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kliff
kliff PublicForked from openkim/kliff
KIM-based Learning-Integrated Fitting Framework (KLIFF).
Python
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