annotated-types==0.7.0
anyio==4.8.0
appdirs==1.4.4
appnope==0.1.4
argon2-cffi==23.1.0
argon2-cffi-bindings==21.2.0
arrow==1.3.0
ase==3.24.0
asttokens==3.0.0
async-lru==2.0.4
attrs==24.3.0
babel==2.16.0
beautifulsoup4==4.12.3
biopandas==0.5.1
biopython==1.85
bioservices==1.11.2
bleach==6.2.0
botorch==0.12.0
cattrs==24.1.2
certifi==2024.12.14
cffi==1.17.1
charset-normalizer==3.4.1
click==8.1.8
colorama==0.4.6
colorlog==6.9.0
comm==0.2.2
contourpy==1.3.1
coverage==7.6.10
cpdb-protein==0.2.0
cycler==0.12.1
Cython==3.0.11
debugpy==1.8.11
decorator==5.1.1
deepdiff==8.1.1
defusedxml==0.7.1
Deprecated==1.2.15
dftd3==1.2.1
dill==0.3.9
easydev==0.13.3
easydict==1.13
executing==2.1.0
fastjsonschema==2.21.1
filelock==3.17.0
flake8==7.1.1
fonttools==4.55.3
fqdn==1.5.1
fsspec==2024.12.0
future==1.0.0
gauche==0.1.6
geometric==1.0.2
gevent==24.11.1
git-lfs==1.6
gmsh==4.13.1
gpaw==25.1.0
gpytorch==1.13
GraKeL==0.1.10
graphein==1.7.7
greenlet==3.1.1
grequests==0.7.0
gudhi==3.10.1
h11==0.14.0
h5py==3.12.1
httpcore==1.0.7
httpx==0.28.1
idna==3.10
imgcat==0.6.0
iniconfig==2.0.0
ipykernel==6.29.5
ipython==8.31.0
isoduration==20.11.0
jax==0.5.0
jaxlib==0.5.0
jaxtyping==0.2.19
jedi==0.19.2
Jinja2==3.1.5
joblib==1.4.2
json5==0.10.0
jsonpointer==3.0.0
jsonschema==4.23.0
jsonschema-specifications==2024.10.1
jupyter-events==0.11.0
jupyter-lsp==2.2.5
jupyter_client==8.6.3
jupyter_core==5.7.2
jupyter_server==2.15.0
jupyter_server_terminals==0.5.3
jupyterlab==4.3.4
jupyterlab_pygments==0.3.0
jupyterlab_server==2.27.3
kiwisolver==1.4.8
latexcodec==3.0.0
line_profiler==4.2.0
linear-operator==0.5.3
loguru==0.7.3
looseversion==1.1.2
lxml==5.3.0
markdown-it-py==3.0.0
MarkupSafe==3.0.2
matplotlib==3.10.0
matplotlib-inline==0.1.7
mccabe==0.7.0
mdurl==0.1.2
mistune==3.1.0
ml_dtypes==0.5.1
mmtf-python==1.1.3
monty==2025.1.9
mpmath==1.3.0
msgpack==1.1.0
multipledispatch==1.0.0
mypy==1.14.1
mypy-extensions==1.0.0
nbclient==0.10.2
nbconvert==7.16.5
nbformat==5.10.4
nest-asyncio==1.6.0
networkx==3.4.2
notebook_shim==0.2.4
numpy==1.26.4
opt_einsum==3.4.0
ordered-set==4.1.0
orderly-set==5.2.3
overrides==7.7.0
packaging==24.2
palettable==3.3.3
pandas==2.2.3
pandocfilters==1.5.1
parso==0.8.4
periodictable==2.0.2
pexpect==4.9.0
pillow==11.1.0
platformdirs==4.3.6
plotly==5.24.1
pluggy==1.5.0
prometheus_client==0.21.1
prompt_toolkit==3.0.48
psutil==6.1.1
ptyprocess==0.7.0
pure_eval==0.2.3
pyarrow==18.1.0
pybtex==0.24.0
pycodestyle==2.12.1
pycparser==2.22
pydantic==2.10.6
pydantic_core==2.27.2
pyfiglet==1.0.2
pyflakes==3.2.0
pyglview==1.3.4
Pygments==2.19.1
pymatgen==2025.1.24
PyOpenGL==3.1.9
PyOpenGL-accelerate==3.1.9
pyparsing==3.2.1
pyro-api==0.1.2
pyro-ppl==1.9.1
pyscf==2.8.0
pytest==8.3.4
pytest-cov==6.0.0
python-dateutil==2.9.0.post0
python-json-logger==3.2.1
pytz==2024.2
PyYAML==6.0.2
pyzmq==26.2.0
rdkit==2024.9.4
referencing==0.35.1
requests==2.32.3
requests-cache==1.2.1
rfc3339-validator==0.1.4
rfc3986-validator==0.1.1
rich==13.9.4
rich-click==1.8.5
rpds-py==0.22.3
ruamel.yaml==0.18.10
ruamel.yaml.clib==0.2.12
scikit-learn==1.6.1
scipy==1.15.1
seaborn==0.13.2
selfies==2.1.2
Send2Trash==1.8.3
six==1.17.0
sniffio==1.3.1
soupsieve==2.6
spglib==2.5.0
SQLAlchemy==2.0.37
stack-data==0.6.3
suds-community==1.2.0
sympy==1.13.1
tabulate==0.9.0
tenacity==9.0.0
terminado==0.18.1
threadpoolctl==3.5.0
tinycss2==1.4.0
TopoNetX==0.2.0
torch==2.5.1
tornado==6.4.2
tqdm==4.67.1
traitlets==5.14.3
trimesh==4.5.3
typeguard==4.4.1
types-python-dateutil==2.9.0.20241206
typing_extensions==4.12.2
tzdata==2024.2
uncertainties==3.2.2
uri-template==1.3.0
url-normalize==1.4.3
urllib3==2.3.0
wcwidth==0.2.13
webcolors==24.11.1
webencodings==0.5.1
websocket-client==1.8.0
wget==3.2
wrapt==1.17.0
xarray==2025.1.1
xmltodict==0.14.2
zope.event==5.0
zope.interface==7.2