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Cambridge University
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matbench-discovery
matbench-discovery PublicAn evaluation framework for machine learning models simulating high-throughput materials discovery.
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elementari
elementari PublicInteractive browser visualizations for materials science: periodic tables, 3d crystal structures, Bohr atoms, nuclei, heatmaps, scatter plots.
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awesome-normalizing-flows
awesome-normalizing-flows PublicAwesome resources on normalizing flows.
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materialsproject/pymatgen
materialsproject/pymatgen PublicPython 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 …
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CederGroupHub/chgnet
CederGroupHub/chgnet PublicPretrained universal neural network potential for charge-informed atomistic modeling https://chgnet.lbl.gov
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