requirements.txt

absl-py==2.0.0
aiosignal==1.3.1
astor==0.8.1
astunparse==1.6.3
attrs==23.1.0
autograd==1.6.2
autograd-gamma==0.5.0
biopython
cachetools==5.3.1
certifi==2023.7.22
charset-normalizer==3.2.0
click==8.1.7
cloudpickle==2.2.1
contourpy
cycler
dataclasses==0.6
deepchem==2.5.0
dgl==1.1.2.post1
dgllife==0.3.2
et-xmlfile==1.1.0
filelock==3.12.4
flatbuffers==23.5.26
fonttools
formulaic==0.6.6
freetype-py
frozenlist==1.4.0
fsspec==2023.10.0
future==0.18.3
fuzzywuzzy==0.18.0
gast==0.4.0
gensim==4.3.2
google-auth==2.23.0
google-auth-oauthlib==1.0.0
google-pasta==0.2.0
greenlet
grpcio==1.58.0
h5py==3.9.0
huggingface-hub==0.19.4
hyperopt==0.2.7
idna==3.4
igraph==0.10.8
interface-meta==1.3.0
Jinja2==3.1.2
joblib==1.3.2
jsonschema==4.19.1
jsonschema-specifications==2023.7.1
keras==2.13.1
libclang==16.0.6
lifelines==0.27.8
Markdown==3.4.4
MarkupSafe==2.1.3
matplotlib
mpmath==1.3.0
msgpack==1.0.7
munkres==1.1.4
networkx==3.1
numpy==1.24.3
oauthlib==3.2.2
openpyxl==3.1.2
opt-einsum==3.3.0
packaging
pandas
pandas-flavor==0.6.0
Pillow
protobuf==4.24.3
psutil==5.9.5
py4j==0.10.9.7
pyasn1==0.5.0
pyasn1-modules==0.3.0
pycairo==1.24.0
pyparsing 
pypdb==2.3
PyTDC==0.4.1
python-dateutil
pytz
PyYAML==6.0.1
ray==2.7.1
rdkit-pypi==2022.9.5
referencing==0.30.2
reportlab
requests==2.31.0
requests-oauthlib==1.3.1
rlPyCair
rpds-py==0.10.6
rsa==4.9
scikit-learn==1.3.0
scipy==1.11.2
seaborn==0.13.0
six
smart-open==6.4.0
SQLAlchemy
sympy==1.12
tensorboard==2.13.0
tensorboard-data-server==0.7.1
tensorflow==2.13.0
tensorflow-estimator==2.13.0
tensorflow-macos==2.13.0
termcolor==2.3.0
texttable==1.6.7
threadpoolctl==3.2.0
torch==2.0.1
torchaudio==2.0.2
torchvision==0.15.2
tqdm==4.66.1
typing_extensions==4.5.0
tzdata
urllib3==1.26.16
Werkzeug==2.3.7
wrapt==1.15.0
xarray==2023.11.0