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requirements.txt
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accelerate==0.21.0
alabaster==0.7.13
alignn==2023.7.10
annotated-types==0.5.0
ase==3.22.1
asttokens==2.2.1
autopep8==2.0.2
Babel==2.12.1
backcall==0.2.0
Brotli @ file:///home/conda/feedstock_root/build_artifacts/brotli-split_1687884021435/work
certifi==2023.7.22
charset-normalizer @ file:///home/conda/feedstock_root/build_artifacts/charset-normalizer_1688813409104/work
click==8.1.6
cmake==3.27.0
colorama @ file:///home/conda/feedstock_root/build_artifacts/colorama_1666700638685/work
contourpy @ file:///home/conda/feedstock_root/build_artifacts/contourpy_1686733820580/work
cycler @ file:///home/conda/feedstock_root/build_artifacts/cycler_1635519461629/work
decorator==5.1.1
dgl==1.1.1
dglgo==0.0.2
docutils==0.20.1
emmet-core @ file:///home/conda/feedstock_root/build_artifacts/emmet-core_1690329671644/work
executing==1.2.0
filelock==3.12.2
flake8==6.1.0
fonttools @ file:///home/conda/feedstock_root/build_artifacts/fonttools_1689965456117/work
frozendict @ file:///home/conda/feedstock_root/build_artifacts/frozendict_1682808028301/work
future @ file:///home/conda/feedstock_root/build_artifacts/future_1673596611778/work
gmpy2 @ file:///home/conda/feedstock_root/build_artifacts/gmpy2_1666808654411/work
idna @ file:///home/conda/feedstock_root/build_artifacts/idna_1663625384323/work
imagesize==1.4.1
ipython==8.14.0
isort==5.12.0
jarvis-tools==2023.5.26
jedi==0.19.0
Jinja2==3.1.2
joblib @ file:///home/conda/feedstock_root/build_artifacts/joblib_1688155275339/work
kiwisolver @ file:///home/conda/feedstock_root/build_artifacts/kiwisolver_1666805701884/work
latexcodec @ file:///home/conda/feedstock_root/build_artifacts/latexcodec_1592937263153/work
lit==16.0.6
littleutils==0.2.2
MarkupSafe==2.1.3
matplotlib @ file:///home/conda/feedstock_root/build_artifacts/matplotlib-suite_1678135565516/work
matplotlib-inline==0.1.6
mccabe==0.7.0
monty @ file:///home/conda/feedstock_root/build_artifacts/monty_1683559865687/work
mp-api @ file:///home/conda/feedstock_root/build_artifacts/mp-api_1684183987087/work
mpmath @ file:///home/conda/feedstock_root/build_artifacts/mpmath_1678228039184/work
msgpack @ file:///home/conda/feedstock_root/build_artifacts/msgpack-python_1678312712169/work
munkres==1.1.4
networkx @ file:///home/conda/feedstock_root/build_artifacts/networkx_1680692919326/work
numpy @ file:///home/conda/feedstock_root/build_artifacts/numpy_1688887056611/work
numpydoc==1.5.0
nvidia-cublas-cu11==11.10.3.66
nvidia-cuda-cupti-cu11==11.7.101
nvidia-cuda-nvrtc-cu11==11.7.99
nvidia-cuda-runtime-cu11==11.7.99
nvidia-cudnn-cu11==8.5.0.96
nvidia-cufft-cu11==10.9.0.58
nvidia-curand-cu11==10.2.10.91
nvidia-cusolver-cu11==11.4.0.1
nvidia-cusparse-cu11==11.7.4.91
nvidia-nccl-cu11==2.14.3
nvidia-nvtx-cu11==11.7.91
ogb==1.3.6
outdated==0.2.2
packaging @ file:///home/conda/feedstock_root/build_artifacts/packaging_1681337016113/work
palettable @ file:///home/conda/feedstock_root/build_artifacts/palettable_1682018334297/work
pandas @ file:///home/conda/feedstock_root/build_artifacts/pandas_1688740542634/work
parso==0.8.3
pexpect==4.8.0
pickleshare==0.7.5
Pillow @ file:///home/conda/feedstock_root/build_artifacts/pillow_1688255837355/work
platformdirs @ file:///home/conda/feedstock_root/build_artifacts/platformdirs_1690813113769/work
plotly @ file:///home/conda/feedstock_root/build_artifacts/plotly_1686267560832/work
pooch @ file:///home/conda/feedstock_root/build_artifacts/pooch_1679580333621/work
prompt-toolkit==3.0.39
psutil==5.9.5
ptyprocess==0.7.0
pure-eval==0.2.2
pybtex @ file:///home/conda/feedstock_root/build_artifacts/pybtex_1638467081712/work
pycodestyle==2.11.0
pydantic @ file:///home/conda/feedstock_root/build_artifacts/pydantic_1690476220515/work
pydantic_core==2.4.0
pydocstyle==6.3.0
pyflakes==3.1.0
Pygments==2.15.1
pymatgen @ file:///home/conda/feedstock_root/build_artifacts/pymatgen_1689886138786/work
pyparsing==2.4.7
PySocks @ file:///home/conda/feedstock_root/build_artifacts/pysocks_1661604839144/work
python-dateutil @ file:///home/conda/feedstock_root/build_artifacts/python-dateutil_1626286286081/work
pytorch-ignite==0.5.0.dev20230731
pytz @ file:///home/conda/feedstock_root/build_artifacts/pytz_1680088766131/work
PyYAML==6.0.1
rdkit-pypi==2022.9.5
requests @ file:///home/conda/feedstock_root/build_artifacts/requests_1684774241324/work
ruamel.yaml @ file:///home/conda/feedstock_root/build_artifacts/ruamel.yaml_1686993901728/work
ruamel.yaml.clib @ file:///home/conda/feedstock_root/build_artifacts/ruamel.yaml.clib_1670412719074/work
scikit-learn @ file:///home/conda/feedstock_root/build_artifacts/scikit-learn_1688116438223/work
scipy @ file:///home/conda/feedstock_root/build_artifacts/scipy-split_1687995573301/work/base/dist/scipy-1.11.1-cp310-cp310-linux_x86_64.whl#sha256=8d5deeb2c6d26ebd0fd1ecccdf7a146031927d8ec819fdfa3dc5ca26775f227d
six @ file:///home/conda/feedstock_root/build_artifacts/six_1620240208055/work
snowballstemmer==2.2.0
spglib @ file:///home/conda/feedstock_root/build_artifacts/spglib_1678107492034/work/python
Sphinx==7.1.1
sphinxcontrib-applehelp==1.0.4
sphinxcontrib-devhelp==1.0.2
sphinxcontrib-htmlhelp==2.0.1
sphinxcontrib-jsmath==1.0.1
sphinxcontrib-qthelp==1.0.3
sphinxcontrib-serializinghtml==1.1.5
stack-data==0.6.2
sympy @ file:///home/conda/feedstock_root/build_artifacts/sympy_1684180540116/work
tabulate @ file:///home/conda/feedstock_root/build_artifacts/tabulate_1665138452165/work
tenacity @ file:///home/conda/feedstock_root/build_artifacts/tenacity_1677600641219/work
threadpoolctl @ file:///home/conda/feedstock_root/build_artifacts/threadpoolctl_1689261241048/work
tomli==2.0.1
toolz==0.12.0
torch==2.0.1
tqdm @ file:///home/conda/feedstock_root/build_artifacts/tqdm_1677948868469/work
traitlets==5.9.0
triton==2.0.0
typer==0.9.0
typing_extensions @ file:///home/conda/feedstock_root/build_artifacts/typing_extensions_1688315532570/work
tzdata @ file:///home/conda/feedstock_root/build_artifacts/python-tzdata_1680081134351/work
uncertainties @ file:///home/conda/feedstock_root/build_artifacts/uncertainties_1655664167081/work
unicodedata2 @ file:///home/conda/feedstock_root/build_artifacts/unicodedata2_1667239886688/work
urllib3 @ file:///home/conda/feedstock_root/build_artifacts/urllib3_1689789803562/work
wcwidth==0.2.6
xgboost==1.7.4
xmltodict==0.13.0