appdirs==1.4.4
asttokens==2.4.0
attrs==23.1.0
backcall==0.2.0
biopython==1.81
certifi==2023.7.22
charset-normalizer==3.2.0
click==8.1.7
colorama==0.4.6
comm==0.1.4
contourpy==1.1.1
cycler==0.11.0
debugpy==1.7.0
decorator==5.1.1
dill==0.3.7
docker-pycreds==0.4.0
et-xmlfile==1.1.0
executing==1.2.0
fasteners==0.19
fastjsonschema==2.18.0
filelock==3.12.3
fonttools==4.42.1
gitdb==4.0.10
GitPython==3.1.36
GridDataFormats==1.0.1
idna==3.4
ipykernel==6.25.2
ipython==8.15.0
jedi==0.19.0
Jinja2==3.1.2
joblib==1.3.2
jsonschema==4.19.1
jsonschema-specifications==2023.7.1
jupyter_client==8.3.1
jupyter_core==5.3.1
kiwisolver==1.4.5
MarkupSafe==2.1.3
matplotlib==3.8.0
matplotlib-inline==0.1.6
MDAnalysis==2.6.1
mmtf-python==1.1.3
mpmath==1.3.0
mrcfile==1.4.3
msgpack==1.0.6
multiprocess==0.70.15
nbformat==5.9.2
nest-asyncio==1.5.7
networkx==3.1
numpy==1.25.2
openpyxl==3.1.2
packaging==23.1
pandas==1.5.3
parso==0.8.3
pathtools==0.1.2
pickleshare==0.7.5
Pillow==10.0.0
platformdirs==3.10.0
plotly==5.17.0
prolif==2.0.0.post1
prompt-toolkit==3.0.39
protobuf==4.24.3
psutil==5.9.5
pure-eval==0.2.2
Pygments==2.16.1
pyparsing==3.1.1
python-dateutil==2.8.2
pytz==2023.3.post1
pywin32==306
PyYAML==6.0.1
pyzmq==25.1.1
rdkit==2023.3.3
referencing==0.30.2
requests==2.31.0
rpds-py==0.10.3
scikit-learn==1.3.0
scipy==1.11.2
sentry-sdk==1.30.0
setproctitle==1.3.2
six==1.16.0
sklearn==0.0.post9
smmap==5.0.0
stack-data==0.6.2
sympy==1.12
tenacity==8.2.3
threadpoolctl==3.2.0
torch==2.0.1+cu118
torchaudio==2.0.2+cu118
torchvision==0.15.2+cu118
tornado==6.3.3
tqdm==4.66.1
traitlets==5.9.0
typing_extensions==4.7.1
urllib3==2.0.4
wandb==0.15.10
wcwidth==0.2.6
