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requirements.txt
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requirements.txt
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antlr4-python3-runtime==4.8
asttokens==2.0.5+computecanada
backcall==0.2.0+computecanada
black==22.1.0+computecanada
captum==0.2.0
certifi==2021.10.8+computecanada
charset-normalizer==2.0.12
cilog==1.2.2
click==8.0.3+computecanada
cloudpickle==2.0.0+computecanada
cycler==0.11.0+computecanada
decorator==5.1.1+computecanada
dive-into-graphs==0.1.2
et-xmlfile==1.1.0
executing==0.8.2+computecanada
fonttools==4.29.1+computecanada
googledrivedownloader==0.4+computecanada
hydra-core==1.1.1
idna==3.3+computecanada
importlib-resources==5.4.0+computecanada
ipython==8.0.1+computecanada
isodate==0.6.1
jedi==0.18.1+computecanada
jinja2==3.0.3+computecanada
joblib==1.1.0+computecanada
kiwisolver==1.3.2+computecanada
llvmlite==0.38.0
markupsafe==2.0.1+computecanada
matplotlib==3.5.1+computecanada
matplotlib-inline==0.1.3+computecanada
mpmath==1.2.1+computecanada
mypy-extensions==0.4.3+computecanada
networkx==2.6.3+computecanada
numba==0.55.1
numpy==1.22.2+computecanada
omegaconf==2.1.1
openpyxl==3.0.9
packaging==21.3+computecanada
pandas==1.4.1
parso==0.8.3+computecanada
pathspec==0.9.0+computecanada
pexpect==4.8.0+computecanada
pickleshare==0.7.5+computecanada
pillow==9.0.1+computecanada
platformdirs==2.5.0+computecanada
prompt-toolkit==3.0.28
ptyprocess==0.7.0+computecanada
pure-eval==0.2.2+computecanada
pygments==2.11.2+computecanada
pyparsing==3.0.7+computecanada
python-dateutil==2.8.2+computecanada
pytz==2021.3+computecanada
pyyaml==6.0+computecanada
rdflib==6.1.1
rdkit-pypi==2021.9.4
requests==2.27.1+computecanada
scikit-learn==1.0.2
scipy==1.8.0+computecanada
shap==0.40.0
six==1.16.0+computecanada
slicer==0.0.7
stack-data==0.2.0
sympy==1.9+computecanada
tabulate==0.8.9+computecanada
threadpoolctl==3.1.0
tomli==2.0.1+computecanada
torch==1.10.0+computecanada
torch-cluster==1.5.9+computecanada
torch-geometric==2.0.2+computecanada
torch-scatter==2.0.9+computecanada
torch-sparse==0.6.12+computecanada
torch-spline-conv==1.2.1+computecanada
tqdm==4.62.3+computecanada
traitlets==5.1.1+computecanada
typed-argument-parser==1.5.4
typing-extensions==4.1.1
typing-inspect==0.7.1
urllib3==1.26.8+computecanada
wcwidth==0.2.5+computecanada
yacs==0.1.8+computecanada
zipp==3.7.0+computecanada