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wyckoff-transformer


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Author: None
Summary: Wyckoff Transformer is a machine learning model for generating crystal structures which are symmetric by design.
Latest version: 1.0.7
Required dependencies: datasets | fsspec | huggingface-hub | ipympl | matminer | monty | numpy | omegaconf | pandarallel | pandas | pyarrow | pydantic | pymatgen | pyxtal | safetensors | schedulefree | scikit-learn | smact | torch | wandb | wrapt-timeout-decorator
Optional dependencies: ase | build | cdvae-property-models | cuequivariance-ops-torch-cu13 | cuequivariance-torch | ipykernel | ipympl | ipywidgets | jupyter | mace-torch | matbench-discovery | packaging | pytest | ruff | triton | twine

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