requirements.txt

asttokens==2.0.5
astunparse==1.6.3
backcall==0.2.0
biopython==1.79
black==22.1.0
certifi==2023.7.22
charset-normalizer==2.0.12
click==8.0.3
commonmark==0.9.1
cycler==0.11.0
Cython==0.29.27
debugpy==1.6.0
decorator==5.1.1
entrypoints==0.4
executing==0.8.3
fonttools==4.43.0
GridDataFormats==0.6.0
gsd==2.5.1
idna==3.3
ipykernel==6.14.0
ipython==8.10.0
jedi==0.18.1
joblib==1.2.0
jupyter-client==7.3.4
jupyter-core>=4.11.2
kiwisolver==1.3.2
llvmlite==0.38.0
matplotlib==3.5.1
matplotlib-inline==0.1.3
MDAnalysis==2.1.0
mdtraj==1.9.7
mmtf-python==1.1.2
msgpack==1.0.3
mypy-extensions==0.4.3
nest-asyncio==1.5.5
networkx==2.6.3
numba==0.55.1
numpy==1.22.3
OpenMM==7.7.0
packaging==21.3
pandas==1.4.1
parso==0.8.3
pathspec==0.9.0
pexpect==4.8.0
pickleshare==0.7.5
Pillow==10.3.0
pkg_resources==0.0.0
platformdirs==2.5.0
prompt-toolkit==2.0.4
psutil==5.9.1
ptyprocess==0.7.0
pure-eval==0.2.2
pycodestyle==2.8.0
Pygments==2.15.0
pyparsing==3.0.7
python-dateutil==2.8.2
pytz==2021.3
pyzmq==23.1.0
requests==2.31.0
rich==12.3.0
scipy==1.10.0
six==1.16.0
stack-data==0.2.0
threadpoolctl==3.1.0
tomli==2.0.1
tornado==6.3.3
tqdm==4.62.3
traitlets==5.2.2.post1
typing_extensions==4.1.1
urllib3==1.26.18
wcwidth==0.2.5