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Author:
Nikita Kazeev
Summary:
Wyckoff Transformer is a machine learning model for generating crystal structures which are symmetric by design.
Latest version:
2.3.0
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
|
calorine
|
cuequivariance-ops-torch-cu13
|
cuequivariance-torch
|
ipykernel
|
ipympl
|
ipywidgets
|
jupyter
|
mace-torch
|
matbench-discovery
|
mp-api
|
orb-models
|
packaging
|
pytest
|
ruff
|
scipy
|
triton
|
twine
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