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requirements.txt
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requirements.txt
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aiohappyeyeballs==2.4.0
aiohttp==3.10.5
aiosignal==1.3.1
antlr4-python3-runtime==4.9.3
appnope @ file:///home/conda/feedstock_root/build_artifacts/appnope_1707233003401/work
asttokens @ file:///home/conda/feedstock_root/build_artifacts/asttokens_1698341106958/work
async-timeout==4.0.3
attrs==24.2.0
beautifulsoup4==4.12.3
Brotli @ file:///Users/runner/miniforge3/conda-bld/brotli-split_1725267563793/work
captum==0.2.0
certifi @ file:///home/conda/feedstock_root/build_artifacts/certifi_1725278078093/work/certifi
cffi @ file:///Users/runner/miniforge3/conda-bld/cffi_1725560574711/work
charset-normalizer @ file:///home/conda/feedstock_root/build_artifacts/charset-normalizer_1698833585322/work
cilog==1.3.0
cloudpickle==3.0.0
comm @ file:///home/conda/feedstock_root/build_artifacts/comm_1710320294760/work
contourpy==1.3.0
cycler==0.12.1
debugpy @ file:///Users/runner/miniforge3/conda-bld/debugpy_1725269242041/work
decorator @ file:///home/conda/feedstock_root/build_artifacts/decorator_1641555617451/work
dive-into-graphs==1.1.0
et-xmlfile==1.1.0
exceptiongroup @ file:///home/conda/feedstock_root/build_artifacts/exceptiongroup_1720869315914/work
executing @ file:///home/conda/feedstock_root/build_artifacts/executing_1725214404607/work
filelock @ file:///home/conda/feedstock_root/build_artifacts/filelock_1726613473834/work
fonttools==4.53.1
frozenlist==1.4.1
fsspec==2024.9.0
gdown==5.2.0
gmpy2 @ file:///Users/runner/miniforge3/conda-bld/gmpy2_1725379827413/work
h2 @ file:///home/conda/feedstock_root/build_artifacts/h2_1634280454336/work
h5py==3.11.0
hpack==4.0.0
hydra-core==1.3.2
hyperframe @ file:///home/conda/feedstock_root/build_artifacts/hyperframe_1619110129307/work
idna @ file:///home/conda/feedstock_root/build_artifacts/idna_1726459485162/work
imageio==2.35.1
importlib_metadata @ file:///home/conda/feedstock_root/build_artifacts/importlib-metadata_1726082825846/work
ipykernel @ file:///Users/runner/miniforge3/conda-bld/ipykernel_1719845458456/work
ipython @ file:///home/conda/feedstock_root/build_artifacts/ipython_1725050136642/work
jedi @ file:///home/conda/feedstock_root/build_artifacts/jedi_1696326070614/work
Jinja2 @ file:///home/conda/feedstock_root/build_artifacts/jinja2_1715127149914/work
joblib==1.4.2
jupyter_client @ file:///home/conda/feedstock_root/build_artifacts/jupyter_client_1726610684920/work
jupyter_core @ file:///Users/runner/miniforge3/conda-bld/jupyter_core_1710257588864/work
kiwisolver==1.4.7
lazy_loader==0.4
llvmlite==0.43.0
MarkupSafe @ file:///Users/runner/miniforge3/conda-bld/markupsafe_1724959497253/work
matplotlib==3.9.2
matplotlib-inline @ file:///home/conda/feedstock_root/build_artifacts/matplotlib-inline_1713250518406/work
mpmath @ file:///home/conda/feedstock_root/build_artifacts/mpmath_1678228039184/work
multidict==6.1.0
munch==4.0.0
mypy-extensions==1.0.0
nest_asyncio @ file:///home/conda/feedstock_root/build_artifacts/nest-asyncio_1705850609492/work
networkx @ file:///home/conda/feedstock_root/build_artifacts/networkx_1712540363324/work
numba==0.60.0
numpy==2.0.2
omegaconf==2.3.0
openpyxl==3.1.5
packaging @ file:///home/conda/feedstock_root/build_artifacts/packaging_1718189413536/work
pandas==2.2.3
parso @ file:///home/conda/feedstock_root/build_artifacts/parso_1712320355065/work
pexpect @ file:///home/conda/feedstock_root/build_artifacts/pexpect_1706113125309/work
pickleshare @ file:///home/conda/feedstock_root/build_artifacts/pickleshare_1602536217715/work
pillow @ file:///Users/runner/miniforge3/conda-bld/pillow_1726075092256/work
platformdirs @ file:///home/conda/feedstock_root/build_artifacts/platformdirs_1726613481435/work
prompt_toolkit @ file:///home/conda/feedstock_root/build_artifacts/prompt-toolkit_1718047967974/work
psutil @ file:///Users/runner/miniforge3/conda-bld/psutil_1725737868959/work
ptyprocess @ file:///home/conda/feedstock_root/build_artifacts/ptyprocess_1609419310487/work/dist/ptyprocess-0.7.0-py2.py3-none-any.whl
pure_eval @ file:///home/conda/feedstock_root/build_artifacts/pure_eval_1721585709575/work
pycparser @ file:///home/conda/feedstock_root/build_artifacts/pycparser_1711811537435/work
Pygments @ file:///home/conda/feedstock_root/build_artifacts/pygments_1714846767233/work
pyparsing==3.1.4
pyscf==2.6.2
PySocks @ file:///home/conda/feedstock_root/build_artifacts/pysocks_1661604839144/work
python-dateutil @ file:///home/conda/feedstock_root/build_artifacts/python-dateutil_1709299778482/work
pytz==2024.2
PyYAML @ file:///Users/runner/miniforge3/conda-bld/pyyaml_1725456214747/work
pyzmq @ file:///Users/runner/miniforge3/conda-bld/pyzmq_1725448974755/work
rdkit-pypi==2022.9.5
requests @ file:///home/conda/feedstock_root/build_artifacts/requests_1717057054362/work
scikit-image==0.24.0
scikit-learn==1.5.2
scipy==1.14.1
shap==0.46.0
six @ file:///home/conda/feedstock_root/build_artifacts/six_1620240208055/work
slicer==0.0.8
soupsieve==2.6
stack-data @ file:///home/conda/feedstock_root/build_artifacts/stack_data_1669632077133/work
sympy @ file:///home/conda/feedstock_root/build_artifacts/sympy_1723500264960/work
tabulate==0.9.0
threadpoolctl==3.5.0
tifffile==2024.9.20
torch==2.4.1
torch-geometric==2.6.0
torch_scatter==2.1.2
torchaudio==2.4.1
torchvision==0.19.1
tornado @ file:///Users/runner/miniforge3/conda-bld/tornado_1724956245888/work
tqdm==4.66.5
traitlets @ file:///home/conda/feedstock_root/build_artifacts/traitlets_1713535121073/work
typed-argument-parser==1.7.2
typing-inspect==0.9.0
typing_extensions @ file:///home/conda/feedstock_root/build_artifacts/typing_extensions_1717802530399/work
tzdata==2024.1
urllib3 @ file:///home/conda/feedstock_root/build_artifacts/urllib3_1726496430923/work
wcwidth @ file:///home/conda/feedstock_root/build_artifacts/wcwidth_1704731205417/work
yarl==1.11.1
zipp @ file:///home/conda/feedstock_root/build_artifacts/zipp_1726248574750/work
zstandard==0.23.0