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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…
Propeller Spin
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emmet
emmet PublicForked from materialsproject/emmet
Be a master builder of databases of material properties. Avoid the Kragle.
Python
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megnet
megnet PublicForked from materialsvirtuallab/megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
Python
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MAST-ML
MAST-ML PublicForked from uw-cmg/MAST-ML
MAterials Simulation Toolkit for Machine Learning (MAST-ML)
Python
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MgSbBi-alloy-potential
MgSbBi-alloy-potential Publicdata set for fitting MgSbBi alloy MTP potential
AMPL
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