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requirements.txt
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antlr4-python3-runtime==4.9.3
asttokens==2.2.0
backcall==0.2.0
captum==0.2.0
certifi==2022.9.24
charset-normalizer==2.1.1
cilog==1.2.3
click==8.1.3
cloudpickle==2.2.0
contourpy==1.0.6
cycler==0.11.0
dask==2022.10.2
dask-glm==0.2.0
dask-ml==2022.5.27
decorator==5.1.1
distributed==2022.10.2
dive-into-graphs==1.0.0
emoji==2.2.0
et-xmlfile==1.1.0
executing==1.2.0
fonttools==4.38.0
fsspec==2022.10.0
gensim==4.2.0
h5py==3.7.0
HeapDict==1.0.1
hydra-core==1.2.0
idna==3.4
imageio==2.22.4
importlib-metadata==5.0.0
importlib-resources==5.10.0
intel-extension-for-pytorch==1.12.300
ipython==8.7.0
jedi==0.18.2
Jinja2==3.1.2
joblib==1.2.0
kiwisolver==1.4.4
kp==0.8.1
lime==0.2.0.1
llvmlite==0.39.1
locket==1.0.0
MarkupSafe==2.1.1
matplotlib==3.6.2
matplotlib-inline==0.1.6
mpmath==1.2.1
msgpack==1.0.4
multipledispatch==0.6.0
mypy-extensions==0.4.3
networkx==2.8.7
nltk==3.7
numba==0.56.3
numpy==1.23.4
nvidia-cublas-cu11==11.10.3.66
nvidia-cuda-nvrtc-cu11==11.7.99
nvidia-cuda-runtime-cu11==11.7.99
nvidia-cudnn-cu11==8.5.0.96
omegaconf==2.2.3
openpyxl==3.0.10
packaging==21.3
pandas==1.5.1
parso==0.8.3
partd==1.3.0
pexpect==4.8.0
pickleshare==0.7.5
Pillow==9.3.0
prompt-toolkit==3.0.33
protobuf==4.21.9
psutil==5.9.3
ptyprocess==0.7.0
pure-eval==0.2.2
pyg-lib==0.1.0+pt112cpu
Pygments==2.13.0
pyparsing==3.0.9
pyscf==1.7.6.post1
pyshader==0.7.0
python-dateutil==2.8.2
pytz==2022.6
PyWavelets==1.4.1
PyYAML==6.0
rdkit-pypi==2022.9.2
regex==2022.9.13
requests==2.28.1
scikit-image==0.19.3
scikit-learn==1.1.2
scipy==1.9.3
shap==0.41.0
six==1.16.0
sklearn==0.0
slicer==0.0.7
smart-open==6.2.0
sortedcontainers==2.4.0
stack-data==0.6.2
stanza==1.4.2
sympy==1.11.1
tabulate==0.9.0
tblib==1.7.0
threadpoolctl==3.1.0
tifffile==2022.10.10
toolz==0.12.0
torch==1.12.0
torch-cluster==1.6.0+pt112cpu
torch-geometric==2.1.0.post1
torch-scatter==2.1.0+pt112cpu
torch-sparse==0.6.15+pt112cpu
torch-spline-conv==1.2.1+pt112cpu
tornado==6.1
tqdm==4.64.1
traitlets==5.6.0
typed-argument-parser==1.7.2
typing-extensions==4.4.0
typing-inspect==0.8.0
urllib3==1.26.12
wcwidth==0.2.5
zict==2.2.0
zipp==3.10.0