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xtalmet


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Author: Masahiro Negishi
License: MIT License Copyright (c) 2025 Materials Design Group Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"...
Summary: Python package containing a variety of distance functions for crystals, as well as evaluation metrics for crystal generation.
Latest version: 0.1.1
Required dependencies: average-minimum-distance | huggingface-hub | mace-torch | matminer | pymatgen | smact | torch

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