requirements.txt

asttokens==3.0.0
biopython==1.84
cached-property==1.5.2
certifi==2024.8.30
chardet==5.2.0
CIRpy==1.0.2
contourpy==1.3.1
cssselect2==0.2.1
cycler==0.12.1
decorator==5.1.1
dill==0.3.9
e3fp==1.2.6
exceptiongroup==1.2.2
executing==2.1.0
fonttools==4.55.3
freetype-py==2.3.0
greenlet==3.1.1
h5py==3.12.1
imbalanced-learn==0.12.4
ipython==8.30.0
jedi==0.19.2
joblib==1.4.2
kiwisolver==1.4.7
lxml==5.3.0
matplotlib==3.9.3
matplotlib-inline==0.1.7
mmh3==5.0.1
msgpack==1.1.0
multiprocess==0.70.17
munkres==1.1.4
numpy==2.2.0
packaging==24.2
pandas==2.2.3
parso==0.8.4
pexpect==4.9.0
pickleshare==0.7.5
pillow==11.0.0
pip==24.3.1
ply==3.11
Pmw==2.0.1
prompt_toolkit==3.0.48
ptyprocess==0.7.0
pure_eval==0.2.3
pycairo==1.27.0
Pygments==2.18.0
pymol==3.0.0
pynvim==0.5.2
pyparsing==3.2.0
PyQt5-sip==12.12.2
python-dateutil==2.9.0.post0
pytz==2024.1
rdkit==2024.9.3
reportlab==4.2.5
rlPyCairo==0.2.0
scikit-learn==1.6.0
scipy==1.14.1
sdaxen-python-utilities==0.1.5
setuptools==75.6.0
sip==0.0.0
six==1.17.0
smart_open==7.0.5
SQLAlchemy==2.0.36
stack_data==0.6.3
standardiser==0.1.9
svglib==1.5.1
threadpoolctl==3.5.0
tinycss2==1.4.0
toml==0.10.2
tomli==2.2.1
tornado==6.4.2
traitlets==5.14.3
typing_extensions==4.12.2
tzdata==2024.2
unicodedata2==15.1.0
wcwidth==0.2.13
webencodings==0.5.1
wheel==0.45.1
wrapt==1.17.0
XlsxWriter==3.2.0