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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…
Python
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maml
maml PublicForked from materialsvirtuallab/maml
Python for Materials Machine Learning, Materials Descriptors, Machine Learning Force Fields, Deep Learning, etc.
Jupyter Notebook
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pymatgen-analysis-diffusion
pymatgen-analysis-diffusion PublicForked from materialsvirtuallab/pymatgen-analysis-diffusion
This add-on to pymatgen provides tools for analyzing diffusion in materials.
Python
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m3gnet
m3gnet PublicForked from materialsvirtuallab/m3gnet
Universal material graph interatomic potential with three-body interactions
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