requirements.txt

#pip==23.2.1
#python==3.11.5
setuptools==68.1.2
wheel==0.41.2
appnope==0.1.3
astropy==5.3.3
asttokens==2.4.0
backcall==0.2.0
certifi==2023.7.22
charset-normalizer==3.2.0
cmake
contourpy==1.1.0
cycler==0.11.0
decorator==5.1.1
dgllife==0.3.2
executing==1.2.0
filelock==3.12.3
fonttools==4.42.1
idna==3.4
ipython==8.15.0
jedi==0.19.0
jinja2==3.1.2
joblib==1.3.2
kiwisolver==1.4.5
lit
markupsafe==2.1.3
matplotlib==3.7.2
matplotlib-inline==0.1.6
mpmath==1.3.0
networkx==3.1
numpy==1.25.2
openpyxl==3.1.2
packaging==23.1
pandas==2.1.0
parso==0.8.3
patsy==0.5.3
pexpect==4.8.0
pickleshare==0.7.5
pillow==10.0.0
prompt-toolkit==3.0.39
protobuf==3.20.0
psutil==5.9.5
ptyprocess==0.7.0
pure-eval==0.2.2
pyerfa==2.0.0.3
pygments==2.16.1
pyparsing==3.0.9
python-dateutil==2.8.2
pytz==2023.3.post1
pyyaml==6.0.1
rdkit==2022.9.5
requests==2.31.0
scikit-learn==1.3.0
scipy==1.11.2
seaborn==0.12.2
six==1.16.0
stack-data==0.6.2
statsmodels==0.14.0
sympy==1.12
threadpoolctl==3.2.0
tqdm==4.66.1
traitlets==5.9.0
typing-extensions==4.7.1
tzdata==2023.3
urllib3==2.0.4
wcwidth==0.2.6
torch-geometric==2.3.1
git+https://github.com/ECP-CANDLE/candle_lib.git