anyio==4.4.0
appdirs==1.4.4
appnope==0.1.4
argon2-cffi==23.1.0
argon2-cffi-bindings==21.2.0
arrow==1.3.0
asttokens==2.4.1
async-lru==2.0.4
attrs==23.2.0
babel==2.16.0
backports.tarfile==1.2.0
beautifulsoup4==4.12.3
biopandas
biopython==1.83
bioservices==1.11.2
bleach==6.1.0
botorch==0.10.0
cattrs==23.2.3
certifi==2024.2.2
cffi==1.17.1
charset-normalizer==3.3.2
click==8.1.7
colorama==0.4.6
colorlog==6.8.2
comm==0.2.2
contourpy==1.2.0
coverage==7.6.1
cycler==0.12.1
Cython==3.0.10
debugpy==1.8.5
decorator==5.1.1
deepdiff==6.7.1
defusedxml==0.7.1
dill==0.3.8
docutils==0.21.2
easydev==0.13.1
easydict==1.13
execnet==2.1.1
executing==2.1.0
fastjsonschema==2.20.0
filelock==3.13.3
flake8==7.0.0
fonttools==4.50.0
fqdn==1.5.1
fsspec==2024.3.1
future==1.0.0
gauche
gevent==24.2.1
git-lfs==1.6
gmsh==4.13.1
gpytorch==1.11
GraKeL==0.1.10
graphein
greenlet==3.0.3
grequests==0.7.0
h11==0.14.0
httpcore==1.0.5
httpx==0.27.2
idna==3.6
imgcat==0.5.0
importlib_metadata==8.5.0
importlib_resources==6.4.5
iniconfig==2.0.0
isoduration==20.11.0
jaraco.classes==3.4.0
jaraco.context==6.0.1
jaraco.functools==4.0.2
jax==0.4.25
jaxlib==0.4.25
jaxtyping==0.2.28
jedi==0.19.1
Jinja2==3.1.3
joblib==1.3.2
json5==0.9.25
jsonpointer==3.0.0
jsonschema==4.23.0
jsonschema-specifications==2023.12.1
jupyter-events==0.10.0
jupyter-lsp==2.2.5
jupyter_client==8.6.2
jupyter_core==5.7.2
jupyter_server==2.14.2
jupyter_server_terminals==0.5.3
jupyterlab==4.2.5
jupyterlab_pygments==0.3.0
jupyterlab_server==2.27.3
keyring==25.4.1
kiwisolver==1.4.5
latexcodec==3.0.0
line-profiler==4.1.2
linear-operator==0.5.1
loguru==0.7.2
looseversion==1.1.2
lxml==5.1.1
markdown-it-py==3.0.0
MarkupSafe==2.1.5
matplotlib==3.8.3
matplotlib-inline==0.1.7
mccabe==0.7.0
mdurl==0.1.2
mistune==3.0.2
ml-dtypes==0.3.2
mmtf-python==1.1.3
monty==2024.7.30
more-itertools==10.5.0
mpmath==1.3.0
msgpack==1.0.8
multipledispatch==1.0.0
mypy==1.9.0
mypy-extensions==1.0.0
nbclient==0.10.0
nbconvert==7.16.4
nbformat==5.10.4
nest-asyncio==1.6.0
networkx==3.2.1
nh3==0.2.18
notebook_shim==0.2.4
numpy==1.23.5
opt-einsum==3.3.0
ordered-set==4.1.0
overrides==7.7.0
packaging==24.0
palettable==3.3.3
pandas
pandocfilters==1.5.1
parso==0.8.4
pexpect==4.9.0
pillow==10.2.0
pkginfo==1.10.0
platformdirs==4.2.0
plotly==5.20.0
pluggy==1.5.0
prometheus_client==0.20.0
prompt_toolkit==3.0.47
psutil==6.0.0
ptyprocess==0.7.0
pure_eval==0.2.3
pybtex==0.24.0
pycodestyle==2.11.1
pycparser==2.22
pydantic==1.10.14
pyflakes==3.2.0
pyglview==1.3.4
Pygments==2.17.2
pymatgen
PyOpenGL==3.1.7
PyOpenGL-accelerate==3.1.7
pyparsing==3.1.2
pyro-api==0.1.2
pyro-ppl==1.9.0
pytest==8.1.1
pytest-cov==5.0.0
pytest-parallel==0.1.1
python-dateutil==2.9.0.post0
python-json-logger==2.0.7
pytz==2024.1
PyYAML==6.0.1
pyzmq==26.2.0
rdkit==2023.9.5
readme_renderer==44.0
referencing==0.35.1
requests==2.32.3
requests-cache==1.2.0
requests-toolbelt==1.0.0
rfc3339-validator==0.1.4
rfc3986==2.0.0
rfc3986-validator==0.1.1
rich==13.7.1
rich-click==1.7.4
rpds-py==0.20.0
ruamel.yaml==0.18.6
ruamel.yaml.clib==0.2.8
scikit-learn==1.4.1.post1
scipy==1.14.1
seaborn==0.13.2
selfies==2.1.2
Send2Trash==1.8.3
six==1.16.0
sniffio==1.3.1
soupsieve==2.5
spglib==2.5.0
stack-data==0.6.3
suds-community==1.1.2
sympy==1.12
tabulate==0.9.0
tblib==3.0.0
tenacity==8.2.3
terminado==0.18.1
threadpoolctl==3.4.0
tinycss2==1.3.0
torch==2.1.2
tornado==6.4.1
tqdm==4.66.2
traitlets==5.14.3
twine==5.1.1
typeguard==2.13.3
types-python-dateutil==2.9.0.20240906
typing_extensions==4.5.0
tzdata==2024.1
uncertainties==3.2.2
uri-template==1.3.0
url-normalize==1.4.3
urllib3==2.2.1
wcwidth==0.2.13
webcolors==24.8.0
webencodings==0.5.1
websocket-client==1.8.0
wget==3.2
wrapt==1.16.0
xarray==2024.3.0
xmltodict==0.13.0
zipp==3.20.2
zope.event==5.0
zope.interface==6.2
