requirements.txt

# This file was autogenerated by uv via the following command:
#    uv pip compile pyproject.toml --all-extras -o requirements.txt --universal
accessible-pygments==0.0.5
    # via pydata-sphinx-theme
adjusttext==1.3.0
    # via elementembeddings
aioitertools==0.12.0
    # via maggma
alabaster==1.0.0
    # via sphinx
annotated-types==0.7.0
    # via pydantic
appnope==0.1.4 ; sys_platform == 'darwin'
    # via ipykernel
ase==3.24.0
    # via smact (pyproject.toml)
asttokens==3.0.0
    # via stack-data
attrs==24.2.0
    # via
    #   jsonlines
    #   jsonschema
    #   jupyter-cache
    #   referencing
babel==2.17.0
    # via
    #   pydata-sphinx-theme
    #   sphinx
bcrypt==4.3.0
    # via paramiko
beautifulsoup4==4.13.3
    # via pydata-sphinx-theme
bibtexparser==1.4.3
    # via pymatgen
black==25.1.0
    # via blacken-docs
blacken-docs==1.19.1
    # via smact (pyproject.toml)
blinker==1.9.0
    # via flask
boto3==1.40.42
    # via maggma
botocore==1.40.42
    # via
    #   boto3
    #   s3transfer
certifi==2024.7.4
    # via requests
cffi==1.17.1
    # via
    #   cryptography
    #   pynacl
    #   pyzmq
charset-normalizer==3.3.2
    # via requests
click==8.1.7
    # via
    #   black
    #   flask
    #   jupyter-cache
cloudpickle==3.1.1
    # via shap
codespell==2.4.1
    # via smact (pyproject.toml)
colorama==0.4.6 ; sys_platform == 'win32'
    # via
    #   click
    #   ipython
    #   pytest
    #   sphinx
    #   tqdm
comm==0.2.2
    # via ipykernel
contourpy==1.2.0
    # via matplotlib
coverage==7.11.3
    # via pytest-cov
cryptography==44.0.1
    # via paramiko
cycler==0.12.1
    # via matplotlib
dash==3.0.2
    # via smact (pyproject.toml)
debugpy==1.8.13
    # via ipykernel
decorator==5.2.1
    # via ipython
dill==0.3.8
    # via
    #   multiprocess
    #   pandarallel
    #   pathos
dnspython==2.7.0
    # via
    #   maggma
    #   pymongo
docutils==0.21.2
    # via
    #   myst-parser
    #   pydata-sphinx-theme
    #   sphinx
    #   sphinx-rtd-theme
elementembeddings==0.6.1
    # via smact (pyproject.toml)
emmet-core==0.84.5
    # via mp-api
executing==2.2.0
    # via stack-data
fastjsonschema==2.21.1
    # via nbformat
flask==3.0.3
    # via dash
fonttools==4.53.0
    # via matplotlib
greenlet==3.1.1 ; (python_full_version < '3.14' and platform_machine == 'AMD64') or (python_full_version < '3.14' and platform_machine == 'WIN32') or (python_full_version < '3.14' and platform_machine == 'aarch64') or (python_full_version < '3.14' and platform_machine == 'amd64') or (python_full_version < '3.14' and platform_machine == 'ppc64le') or (python_full_version < '3.14' and platform_machine == 'win32') or (python_full_version < '3.14' and platform_machine == 'x86_64')
    # via sqlalchemy
idna==3.7
    # via requests
imagesize==1.4.1
    # via sphinx
importlib-metadata==8.7.0
    # via
    #   dash
    #   jupyter-cache
    #   myst-nb
iniconfig==2.1.0
    # via pytest
ipykernel==6.29.5
    # via myst-nb
ipython==8.34.0
    # via
    #   ipykernel
    #   myst-nb
itsdangerous==2.2.0
    # via flask
jedi==0.19.2
    # via ipython
jinja2==3.1.6
    # via
    #   flask
    #   myst-parser
    #   pandas
    #   sphinx
jmespath==1.0.1
    # via
    #   boto3
    #   botocore
joblib==1.4.2
    # via
    #   pymatgen
    #   pynndescent
    #   scikit-learn
jsonlines==4.0.0
    # via maggma
jsonschema==4.23.0
    # via
    #   maggma
    #   nbformat
jsonschema-specifications==2024.10.1
    # via jsonschema
jupyter-cache==1.0.1
    # via myst-nb
jupyter-client==8.6.3
    # via
    #   ipykernel
    #   nbclient
jupyter-core==5.8.1
    # via
    #   ipykernel
    #   jupyter-client
    #   nbclient
    #   nbformat
kaleido==0.2.1
    # via smact (pyproject.toml)
kiwisolver==1.4.5
    # via matplotlib
latexcodec==2.0.1
    # via pybtex
llvmlite==0.43.0
    # via
    #   smact (pyproject.toml)
    #   numba
    #   pynndescent
maggma==0.70.0
    # via mp-api
markdown-it-py==3.0.0
    # via
    #   mdit-py-plugins
    #   myst-parser
markupsafe==3.0.2
    # via
    #   jinja2
    #   werkzeug
matminer==0.9.3
    # via smact (pyproject.toml)
matplotlib==3.9.3
    # via
    #   adjusttext
    #   ase
    #   elementembeddings
    #   matplotlib-venn
    #   pymatgen
    #   pymatviz
    #   seaborn
matplotlib-inline==0.1.7
    # via
    #   ipykernel
    #   ipython
matplotlib-venn==1.1.2
    # via smact (pyproject.toml)
mdit-py-plugins==0.4.2
    # via myst-parser
mdurl==0.1.2
    # via markdown-it-py
mongomock==4.3.0
    # via maggma
monty==2025.3.3
    # via
    #   emmet-core
    #   maggma
    #   matminer
    #   mp-api
    #   pymatgen
mp-api==0.45.5
    # via smact (pyproject.toml)
mpmath==1.3.0
    # via sympy
msgpack==1.1.0
    # via
    #   maggma
    #   mp-api
multiprocess==0.70.16
    # via pathos
mypy-extensions==1.0.0
    # via black
myst-nb==1.1.2
    # via smact (pyproject.toml)
myst-parser==4.0.1
    # via myst-nb
nbclient==0.10.2
    # via
    #   jupyter-cache
    #   myst-nb
nbformat==5.10.4
    # via
    #   jupyter-cache
    #   myst-nb
    #   nbclient
    #   nbstripout
nbstripout==0.8.1
    # via smact (pyproject.toml)
nest-asyncio==1.6.0
    # via
    #   dash
    #   ipykernel
networkx==3.2.1
    # via pymatgen
nodeenv==1.9.1
    # via pyright
numba==0.60.0
    # via
    #   pynndescent
    #   shap
    #   umap-learn
numpy==1.26.2
    # via
    #   smact (pyproject.toml)
    #   adjusttext
    #   ase
    #   contourpy
    #   elementembeddings
    #   emmet-core
    #   maggma
    #   matminer
    #   matplotlib
    #   matplotlib-venn
    #   monty
    #   numba
    #   opentsne
    #   pandas
    #   pymatgen
    #   pymatviz
    #   scikit-learn
    #   scipy
    #   seaborn
    #   shap
    #   shapely
    #   spglib
    #   umap-learn
    #   xgboost
nvidia-nccl-cu12==2.26.2 ; platform_machine != 'aarch64' and sys_platform == 'linux'
    # via xgboost
opentsne==1.0.2
    # via elementembeddings
orjson==3.10.12
    # via maggma
packaging==24.0
    # via
    #   black
    #   ipykernel
    #   matplotlib
    #   mongomock
    #   plotly
    #   pytest
    #   shap
    #   sphinx
palettable==3.3.3
    # via pymatgen
pandarallel==1.6.5
    # via smact (pyproject.toml)
pandas==2.2.3
    # via
    #   smact (pyproject.toml)
    #   maggma
    #   matminer
    #   pandarallel
    #   pymatgen
    #   pymatviz
    #   seaborn
    #   shap
paramiko==3.5.1
    # via sshtunnel
parso==0.8.4
    # via jedi
pathos==0.3.2
    # via smact (pyproject.toml)
pathspec==0.12.1
    # via black
pexpect==4.9.0 ; sys_platform != 'emscripten' and sys_platform != 'win32'
    # via ipython
pillow==10.4.0
    # via matplotlib
platformdirs==4.3.7
    # via
    #   black
    #   jupyter-core
plotly==5.24.1
    # via
    #   dash
    #   pymatgen
    #   pymatviz
pluggy==1.5.0
    # via
    #   pytest
    #   pytest-cov
pox==0.3.4
    # via pathos
ppft==1.7.6.8
    # via pathos
prompt-toolkit==3.0.50
    # via ipython
psutil==7.0.0
    # via
    #   ipykernel
    #   pandarallel
ptyprocess==0.7.0 ; sys_platform != 'emscripten' and sys_platform != 'win32'
    # via pexpect
pure-eval==0.2.3
    # via stack-data
pybtex==0.24.0
    # via emmet-core
pycparser==2.22
    # via cffi
pydantic==2.9.2
    # via
    #   smact (pyproject.toml)
    #   emmet-core
    #   maggma
    #   pydantic-settings
pydantic-core==2.23.4
    # via pydantic
pydantic-settings==2.6.1
    # via
    #   emmet-core
    #   maggma
pydash==8.0.5
    # via maggma
pydata-sphinx-theme==0.16.1
    # via sphinx-book-theme
pygments==2.19.1
    # via
    #   accessible-pygments
    #   ipython
    #   pydata-sphinx-theme
    #   sphinx
pymatgen==2025.4.24
    # via
    #   smact (pyproject.toml)
    #   elementembeddings
    #   emmet-core
    #   matminer
    #   mp-api
    #   pymatviz
pymatviz==0.15.1
    # via smact (pyproject.toml)
pymongo==4.10.1
    # via
    #   maggma
    #   matminer
pynacl==1.5.0
    # via paramiko
pynndescent==0.5.13
    # via umap-learn
pyparsing==3.1.1
    # via
    #   bibtexparser
    #   matplotlib
pyright==1.1.398
    # via smact (pyproject.toml)
pytest==8.3.5
    # via
    #   smact (pyproject.toml)
    #   pytest-cov
pytest-cov==7.0.0
    # via smact (pyproject.toml)
python-dateutil==2.9.0.post0
    # via
    #   botocore
    #   jupyter-client
    #   maggma
    #   matplotlib
    #   pandas
python-dotenv==1.1.1
    # via pydantic-settings
pytz==2024.1
    # via
    #   mongomock
    #   pandas
pywin32==310 ; platform_python_implementation != 'PyPy' and sys_platform == 'win32'
    # via jupyter-core
pyyaml==6.0.1
    # via
    #   jupyter-cache
    #   myst-nb
    #   myst-parser
    #   pybtex
pyzmq==26.2.0
    # via
    #   ipykernel
    #   jupyter-client
    #   maggma
readthedocs-sphinx-search==0.3.2
    # via smact (pyproject.toml)
referencing==0.35.1
    # via
    #   jsonschema
    #   jsonschema-specifications
requests==2.32.4
    # via
    #   dash
    #   matminer
    #   mp-api
    #   pymatgen
    #   sphinx
retrying==1.3.4
    # via dash
rpds-py==0.21.0
    # via
    #   jsonschema
    #   referencing
ruamel-yaml==0.18.6
    # via
    #   maggma
    #   monty
    #   pymatgen
ruamel-yaml-clib==0.2.8 ; python_full_version < '3.13' and platform_python_implementation == 'CPython'
    # via ruamel-yaml
ruff==0.11.2
    # via smact (pyproject.toml)
s3transfer==0.14.0
    # via boto3
scikit-learn==1.5.2
    # via
    #   elementembeddings
    #   matminer
    #   opentsne
    #   pymatviz
    #   pynndescent
    #   shap
    #   umap-learn
scipy==1.14.1
    # via
    #   smact (pyproject.toml)
    #   adjusttext
    #   ase
    #   elementembeddings
    #   matplotlib-venn
    #   opentsne
    #   pymatgen
    #   pymatviz
    #   pynndescent
    #   scikit-learn
    #   shap
    #   umap-learn
    #   xgboost
seaborn==0.13.2
    # via
    #   smact (pyproject.toml)
    #   elementembeddings
sentinels==1.0.0
    # via mongomock
setuptools==78.1.1
    # via
    #   dash
    #   maggma
    #   mp-api
shap==0.46.0
    # via smact (pyproject.toml)
shapely==2.1.2
    # via matplotlib-venn
six==1.16.0
    # via
    #   latexcodec
    #   pybtex
    #   python-dateutil
    #   retrying
slicer==0.0.8
    # via shap
smart-open==7.5.0
    # via mp-api
snowballstemmer==2.2.0
    # via sphinx
soupsieve==2.6
    # via beautifulsoup4
spglib==2.6.0
    # via
    #   smact (pyproject.toml)
    #   pymatgen
sphinx==8.1.3
    # via
    #   smact (pyproject.toml)
    #   myst-nb
    #   myst-parser
    #   pydata-sphinx-theme
    #   sphinx-book-theme
    #   sphinx-rtd-theme
    #   sphinxcontrib-jquery
sphinx-book-theme==1.1.3
    # via smact (pyproject.toml)
sphinx-rtd-theme==3.0.2
    # via smact (pyproject.toml)
sphinxcontrib-applehelp==2.0.0
    # via sphinx
sphinxcontrib-devhelp==2.0.0
    # via sphinx
sphinxcontrib-htmlhelp==2.1.0
    # via sphinx
sphinxcontrib-jquery==4.1
    # via sphinx-rtd-theme
sphinxcontrib-jsmath==1.0.1
    # via sphinx
sphinxcontrib-qthelp==2.0.0
    # via sphinx
sphinxcontrib-serializinghtml==2.0.0
    # via sphinx
sqlalchemy==2.0.40
    # via jupyter-cache
sshtunnel==0.4.0
    # via maggma
stack-data==0.6.3
    # via ipython
sympy==1.14.0
    # via
    #   matminer
    #   pymatgen
tabulate==0.9.0
    # via
    #   jupyter-cache
    #   pandas
    #   pymatgen
tenacity==8.2.3
    # via plotly
threadpoolctl==3.6.0
    # via scikit-learn
tomli==2.2.1 ; python_full_version <= '3.11'
    # via coverage
tornado==6.5.1
    # via
    #   ipykernel
    #   jupyter-client
tqdm==4.67.1
    # via
    #   maggma
    #   matminer
    #   pymatgen
    #   shap
    #   umap-learn
traitlets==5.14.3
    # via
    #   comm
    #   ipykernel
    #   ipython
    #   jupyter-client
    #   jupyter-core
    #   matplotlib-inline
    #   nbclient
    #   nbformat
typing-extensions==4.12.2
    # via
    #   smact (pyproject.toml)
    #   beautifulsoup4
    #   dash
    #   elementembeddings
    #   emmet-core
    #   ipython
    #   mp-api
    #   myst-nb
    #   pydantic
    #   pydantic-core
    #   pydash
    #   pydata-sphinx-theme
    #   pyright
    #   spglib
    #   sqlalchemy
tzdata==2024.1
    # via pandas
umap-learn==0.5.7
    # via
    #   smact (pyproject.toml)
    #   elementembeddings
uncertainties==3.2.2
    # via pymatgen
urllib3==2.5.0
    # via
    #   botocore
    #   requests
wcwidth==0.2.13
    # via prompt-toolkit
werkzeug==3.0.6
    # via
    #   dash
    #   flask
wrapt==1.17.2
    # via smart-open
xgboost==2.1.3
    # via smact (pyproject.toml)
zipp==3.21.0
    # via importlib-metadata