requirements.txt

alabaster==0.7.16
ase==3.22.1
Babel==2.14.0
bleach==6.1.0
bokeh==3.3.4
certifi==2024.2.2
cffi==1.16.0
charset-normalizer==3.3.2
colorcet==3.0.1
contourpy==1.2.0
coverage==7.4.3
cycler==0.12.1
dill==0.3.8
dnspython==2.6.1
docutils==0.20.1
exceptiongroup==1.2.0
fonttools==4.49.0
holoviews==1.18.3
hvplot==0.9.2
idna==3.6
imagesize==1.4.1
iniconfig==2.0.0
Jinja2==3.1.3
kiwisolver==1.4.5
linkify-it-py==2.0.3
Markdown==3.5.2
markdown-it-py==3.0.0
MarkupSafe==2.1.5
matplotlib==3.8.3
MCHammer==1.0.4
mdit-py-plugins==0.4.0
mdurl==0.1.2
multiprocess==0.70.16
networkx==3.2.1
numpy==1.26.4
openbabel-wheel==3.1.1.19
packaging==23.2
pandas==2.2.1
panel==1.3.8
panel-chemistry==0.2.2
param==2.0.2
pathos==0.3.2
pillow==10.2.0
pluggy==1.4.0
pox==0.3.4
ppft==1.7.6.8
-e git+https://github.com/ZimmermanGroup/py-conformational-sampling@d82c939efc84b0a48e5861cee36d0d9cc320b2d2#egg=py_conformational_sampling
pycparser==2.21
pyct==0.5.0
Pygments==2.17.2
pyGSM @ git+https://github.com/ZimmermanGroup/pyGSM.git@3b920bb11953f49673d3a2e87ee474b6315a0b4c
pymongo==4.6.2
pyparsing==3.1.1
pytest==8.0.2
pytest-cov==4.1.0
python-dateutil==2.8.2
pytz==2024.1
pyviz_comms==3.0.1
PyYAML==6.0.1
rdkit==2023.9.5
rdkit-pypi==2022.9.5
requests==2.31.0
scipy==1.12.0
seaborn==0.13.2
six==1.16.0
snowballstemmer==2.2.0
Sphinx==7.2.6
sphinx-rtd-theme==2.0.0
sphinxcontrib-applehelp==1.0.8
sphinxcontrib-devhelp==1.0.6
sphinxcontrib-htmlhelp==2.0.5
sphinxcontrib-jquery==4.1
sphinxcontrib-jsmath==1.0.1
sphinxcontrib-qthelp==1.0.7
sphinxcontrib-serializinghtml==1.1.10
SpinDry==0.0.91
stk==2022.6.17.0
stko==0.0.40
tomli==2.0.1
tornado==6.4
tqdm==4.66.2
typing_extensions==4.10.0
tzdata==2024.1
uc-micro-py==1.0.3
urllib3==2.2.1
vabene==0.0.5
webencodings==0.5.1
xtb==22.1
xyzservices==2023.10.1
## The following requirements were added by pip freeze: