Pymatgen Alternatives

Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
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Alternatives To materialsproject/pymatgen
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molecularsets/moses 730 0 0 over 2 years ago 0 26 mit Python
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BradyAJohnston/MolecularNodes 729 0 1 about 2 years ago 5 December 05, 2023 21 mit Python
Toolbox for molecular animations in Blender, powered by Geometry Nodes.
BioPandas/biopandas 636 3 20 over 2 years ago 20 August 28, 2023 25 bsd-3-clause Python
Working with molecular structures in pandas DataFrames
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