requirements_python-3.13.txt

#
# This file is autogenerated by pip-compile with Python 3.13
# by the following command:
#
#    pip-compile --output-file=requirements_python-3.13.txt requirements_python-3.13.in
#
alabaster==1.0.0
    # via
    #   -r requirements_python-3.13.in
    #   sphinx
annotated-types==0.7.0
    # via
    #   -r requirements_python-3.13.in
    #   pydantic
anyio==4.9.0
    # via
    #   -r requirements_python-3.13.in
    #   httpx
    #   jupyter-server
appdirs==1.4.4
    # via -r requirements_python-3.13.in
apsw==3.50.2.0
    # via
    #   -r requirements_python-3.13.in
    #   qcportal
argon2-cffi==25.1.0
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-server
argon2-cffi-bindings==21.2.0
    # via
    #   -r requirements_python-3.13.in
    #   argon2-cffi
arrow==1.3.0
    # via isoduration
ase==3.25.0
    # via -r requirements_python-3.13.in
ase-ext==20.9.0
    # via -r requirements_python-3.13.in
asgiref==3.9.1
    # via -r requirements_python-3.13.in
asn1crypto==1.5.1
    # via -r requirements_python-3.13.in
asttokens==3.0.0
    # via
    #   -r requirements_python-3.13.in
    #   stack-data
async-lru==2.0.5
    # via
    #   -r requirements_python-3.13.in
    #   jupyterlab
attrs==25.3.0
    # via
    #   -r requirements_python-3.13.in
    #   cattrs
    #   jsonschema
    #   referencing
    #   stacie
babel==2.17.0
    # via
    #   -r requirements_python-3.13.in
    #   jupyterlab-server
    #   sphinx
backcall==0.2.0
    # via -r requirements_python-3.13.in
backports-entry-points-selectable==1.3.0
    # via -r requirements_python-3.13.in
backports-functools-lru-cache==2.0.0
    # via -r requirements_python-3.13.in
beautifulsoup4==4.13.4
    # via
    #   -r requirements_python-3.13.in
    #   nbconvert
beniget==0.4.2.post1
    # via
    #   -r requirements_python-3.13.in
    #   pythran
biopython==1.85
    # via -r requirements_python-3.13.in
bitarray==3.3.1
    # via
    #   -r requirements_python-3.13.in
    #   bitstring
bitstring==4.3.1
    # via -r requirements_python-3.13.in
bleach[css]==6.2.0
    # via
    #   -r requirements_python-3.13.in
    #   nbconvert
blinker==1.9.0
    # via
    #   -r requirements_python-3.13.in
    #   flask
blosc2==3.5.1
    # via
    #   -r requirements_python-3.13.in
    #   tables
bottleneck==1.5.0
    # via -r requirements_python-3.13.in
bson==0.5.10
    # via -r requirements_python-3.13.in
cachecontrol==0.14.2
    # via -r requirements_python-3.13.in
cached-property==2.0.1
    # via -r requirements_python-3.13.in
cachelib==0.13.0
    # via
    #   -r requirements_python-3.13.in
    #   flask-session
cachetools==6.1.0
    # via -r requirements_python-3.13.in
cachy==0.3.0
    # via -r requirements_python-3.13.in
cattrs==25.2.0
    # via stacie
certifi==2025.4.26
    # via
    #   -r requirements_python-3.13.in
    #   httpcore
    #   httpx
    #   netcdf4
    #   requests
cffi==1.17.1
    # via
    #   -r requirements_python-3.13.in
    #   argon2-cffi-bindings
    #   ase-ext
    #   cryptography
    #   pynacl
cfgv==3.4.0
    # via pre-commit
cftime==1.6.4.post1
    # via
    #   -r requirements_python-3.13.in
    #   netcdf4
chardet==5.2.0
    # via -r requirements_python-3.13.in
charset-normalizer==3.4.1
    # via
    #   -r requirements_python-3.13.in
    #   requests
cleo==2.1.0
    # via -r requirements_python-3.13.in
click==8.1.8
    # via
    #   -r requirements_python-3.13.in
    #   flask
    #   rich-click
cloudpickle==3.1.1
    # via
    #   -r requirements_python-3.13.in
    #   doit
colorama==0.4.6
    # via -r requirements_python-3.13.in
comm==0.2.2
    # via
    #   -r requirements_python-3.13.in
    #   ipykernel
    #   ipywidgets
commonmark==0.9.1
    # via -r requirements_python-3.13.in
contourpy==1.3.2
    # via
    #   -r requirements_python-3.13.in
    #   matplotlib
crashtest==0.4.1
    # via
    #   -r requirements_python-3.13.in
    #   cleo
cryptography==44.0.2
    # via
    #   -r requirements_python-3.13.in
    #   secretstorage
cycler==0.12.1
    # via
    #   -r requirements_python-3.13.in
    #   matplotlib
deap==1.4.3
    # via -r requirements_python-3.13.in
debugpy==1.8.14
    # via
    #   -r requirements_python-3.13.in
    #   ipykernel
decorator==5.2.1
    # via
    #   -r requirements_python-3.13.in
    #   ipython
defusedxml==0.7.1
    # via
    #   -r requirements_python-3.13.in
    #   nbconvert
deprecation==2.1.0
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-packaging
distlib==0.3.9
    # via
    #   -r requirements_python-3.13.in
    #   virtualenv
distro==1.9.0
    # via -r requirements_python-3.13.in
docopt==0.6.2
    # via -r requirements_python-3.13.in
docutils==0.21.2
    # via
    #   -r requirements_python-3.13.in
    #   sphinx
doit==0.36.0
    # via
    #   -r requirements_python-3.13.in
    #   pydevtool
dulwich==0.22.8
    # via -r requirements_python-3.13.in
ecdsa==0.19.1
    # via -r requirements_python-3.13.in
editables==0.5
    # via -r requirements_python-3.13.in
exceptiongroup==1.2.2
    # via -r requirements_python-3.13.in
execnet==2.1.1
    # via
    #   -r requirements_python-3.13.in
    #   pytest-xdist
executing==2.2.0
    # via
    #   -r requirements_python-3.13.in
    #   stack-data
fastjsonschema==2.21.1
    # via
    #   -r requirements_python-3.13.in
    #   nbformat
filelock==3.18.0
    # via
    #   -r requirements_python-3.13.in
    #   mdanalysis
    #   virtualenv
flask==3.1.1
    # via
    #   -r requirements_python-3.13.in
    #   flask-cors
    #   flask-session
flask-cors==6.0.1
    # via -r requirements_python-3.13.in
flask-session==0.8.0
    # via -r requirements_python-3.13.in
flexcache==0.3
    # via
    #   -r requirements_python-3.13.in
    #   pint
flexparser==0.4
    # via
    #   -r requirements_python-3.13.in
    #   pint
fonttools==4.58.4
    # via
    #   -r requirements_python-3.13.in
    #   matplotlib
fqdn==1.5.1
    # via jsonschema
fsspec==2025.3.2
    # via -r requirements_python-3.13.in
future==1.0.0
    # via -r requirements_python-3.13.in
gast==0.6.0
    # via
    #   -r requirements_python-3.13.in
    #   beniget
    #   pythran
glob2==0.7
    # via -r requirements_python-3.13.in
griddataformats==1.0.2
    # via
    #   -r requirements_python-3.13.in
    #   mdanalysis
h11==0.16.0
    # via
    #   -r requirements_python-3.13.in
    #   httpcore
html5lib==1.1
    # via -r requirements_python-3.13.in
httpcore==1.0.9
    # via
    #   -r requirements_python-3.13.in
    #   httpx
httpx==0.28.1
    # via
    #   -r requirements_python-3.13.in
    #   jupyterlab
identify==2.6.14
    # via pre-commit
idna==3.10
    # via
    #   -r requirements_python-3.13.in
    #   anyio
    #   httpx
    #   jsonschema
    #   requests
imagesize==1.4.1
    # via
    #   -r requirements_python-3.13.in
    #   sphinx
importlib-metadata==8.7.0
    # via
    #   -r requirements_python-3.13.in
    #   doit
importlib-resources==6.5.2
    # via -r requirements_python-3.13.in
iniconfig==2.1.0
    # via
    #   -r requirements_python-3.13.in
    #   pytest
intreehooks==1.0
    # via -r requirements_python-3.13.in
ipaddress==1.0.23
    # via -r requirements_python-3.13.in
ipykernel==6.29.5
    # via
    #   -r requirements_python-3.13.in
    #   jupyterlab
ipython==9.3.0
    # via
    #   -r requirements_python-3.13.in
    #   ipykernel
    #   ipywidgets
ipython-genutils==0.2.0
    # via -r requirements_python-3.13.in
ipython-pygments-lexers==1.1.1
    # via
    #   -r requirements_python-3.13.in
    #   ipython
ipywidgets==8.1.7
    # via
    #   -r requirements_python-3.13.in
    #   nglview
isoduration==20.11.0
    # via jsonschema
itsdangerous==2.2.0
    # via
    #   -r requirements_python-3.13.in
    #   flask
jaraco-classes==3.4.0
    # via
    #   -r requirements_python-3.13.in
    #   keyring
    #   keyrings-alt
jaraco-context==6.0.1
    # via
    #   -r requirements_python-3.13.in
    #   keyring
    #   keyrings-alt
jaraco-functools==4.1.0
    # via
    #   -r requirements_python-3.13.in
    #   keyring
jedi==0.19.1
    # via
    #   -r requirements_python-3.13.in
    #   ipython
jeepney==0.9.0
    # via
    #   -r requirements_python-3.13.in
    #   keyring
    #   secretstorage
jinja2==3.1.6
    # via
    #   -r requirements_python-3.13.in
    #   flask
    #   jupyter-server
    #   jupyterlab
    #   jupyterlab-server
    #   nbconvert
    #   sphinx
    #   sphinxcontrib-websupport
joblib==1.4.2
    # via
    #   -r requirements_python-3.13.in
    #   mdanalysis
    #   scikit-learn
json5==0.12.0
    # via
    #   -r requirements_python-3.13.in
    #   jupyterlab-server
jsonpointer==3.0.0
    # via jsonschema
jsonschema[format-nongpl]==4.24.0
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-events
    #   jupyterlab-server
    #   nbformat
jsonschema-specifications==2025.4.1
    # via
    #   -r requirements_python-3.13.in
    #   jsonschema
jupyter-client==8.6.3
    # via
    #   -r requirements_python-3.13.in
    #   ipykernel
    #   jupyter-server
    #   nbclient
jupyter-core==5.8.1
    # via
    #   -r requirements_python-3.13.in
    #   ipykernel
    #   jupyter-client
    #   jupyter-server
    #   jupyterlab
    #   nbclient
    #   nbconvert
    #   nbformat
jupyter-events==0.12.0
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-server
jupyter-lsp==2.2.5
    # via
    #   -r requirements_python-3.13.in
    #   jupyterlab
jupyter-packaging==0.12.3
    # via -r requirements_python-3.13.in
jupyter-server==2.16.0
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-lsp
    #   jupyterlab
    #   jupyterlab-server
    #   notebook
    #   notebook-shim
jupyter-server-terminals==0.5.3
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-server
jupyterlab==4.4.4
    # via
    #   -r requirements_python-3.13.in
    #   nglview
    #   notebook
jupyterlab-pygments==0.3.0
    # via
    #   -r requirements_python-3.13.in
    #   nbconvert
jupyterlab-server==2.27.3
    # via
    #   -r requirements_python-3.13.in
    #   jupyterlab
    #   notebook
jupyterlab-widgets==3.0.15
    # via
    #   -r requirements_python-3.13.in
    #   ipywidgets
    #   nglview
keyring==25.6.0
    # via -r requirements_python-3.13.in
keyrings-alt==5.0.2
    # via -r requirements_python-3.13.in
kiwisolver==1.4.4
    # via
    #   -r requirements_python-3.13.in
    #   matplotlib
lockfile==0.12.2
    # via -r requirements_python-3.13.in
lxml==5.3.0
    # via -r requirements_python-3.13.in
markdown-it-py==3.0.0
    # via
    #   -r requirements_python-3.13.in
    #   rich
markupsafe==3.0.2
    # via
    #   -r requirements_python-3.13.in
    #   flask
    #   jinja2
    #   nbconvert
    #   werkzeug
matplotlib==3.10.3
    # via
    #   -r requirements_python-3.13.in
    #   ase
    #   mdanalysis
    #   pathsimanalysis
    #   seaborn
    #   stacie
matplotlib-inline==0.1.7
    # via
    #   -r requirements_python-3.13.in
    #   ipykernel
    #   ipython
mda-xdrlib==0.2.0
    # via
    #   -r requirements_python-3.13.in
    #   mdanalysis
mdahole2==0.5.0
    # via -r requirements_python-3.13.in
mdanalysis==2.9.0
    # via
    #   -r requirements_python-3.13.in
    #   mdahole2
    #   pathsimanalysis
    #   waterdynamics
mdtraj==1.11.0
    # via -r requirements_python-3.13.in
mdurl==0.1.2
    # via
    #   -r requirements_python-3.13.in
    #   markdown-it-py
mistune==3.1.3
    # via
    #   -r requirements_python-3.13.in
    #   nbconvert
mmtf-python==1.1.3
    # via
    #   -r requirements_python-3.13.in
    #   mdanalysis
mock==5.2.0
    # via -r requirements_python-3.13.in
more-itertools==10.7.0
    # via
    #   -r requirements_python-3.13.in
    #   jaraco-classes
    #   jaraco-functools
mpi4py==4.1.0
    # via -r requirements_python-3.13.in
mpmath==1.3.0
    # via -r requirements_python-3.13.in
mrcfile==1.5.4
    # via
    #   -r requirements_python-3.13.in
    #   griddataformats
msgpack==1.1.0
    # via
    #   -r requirements_python-3.13.in
    #   blosc2
    #   cachecontrol
    #   mmtf-python
    #   qcportal
msgspec==0.19.0
    # via
    #   -r requirements_python-3.13.in
    #   flask-session
nbclient==0.10.2
    # via
    #   -r requirements_python-3.13.in
    #   nbconvert
nbconvert==7.17.0
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-server
nbformat==5.10.4
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-server
    #   nbclient
    #   nbconvert
ndindex==1.10.0
    # via
    #   -r requirements_python-3.13.in
    #   blosc2
nest-asyncio==1.6.0
    # via
    #   -r requirements_python-3.13.in
    #   ipykernel
netaddr==1.3.0
    # via -r requirements_python-3.13.in
netcdf4==1.7.2
    # via -r requirements_python-3.13.in
networkx==3.5
    # via -r requirements_python-3.13.in
nglview==3.1.4
    # via -r requirements_python-3.13.in
nodeenv==1.9.1
    # via pre-commit
notebook==7.4.4
    # via
    #   -r requirements_python-3.13.in
    #   nglview
notebook-shim==0.2.4
    # via
    #   -r requirements_python-3.13.in
    #   jupyterlab
    #   notebook
numexpr==2.11.0
    # via
    #   -r requirements_python-3.13.in
    #   blosc2
    #   pymbar
    #   tables
numpy==2.3.1
    # via
    #   -r requirements_python-3.13.in
    #   ase
    #   biopython
    #   blosc2
    #   bottleneck
    #   cftime
    #   contourpy
    #   deap
    #   griddataformats
    #   matplotlib
    #   mdanalysis
    #   mdtraj
    #   mrcfile
    #   netcdf4
    #   nglview
    #   numexpr
    #   openmm
    #   pandas
    #   pathsimanalysis
    #   pdbfixer
    #   pymbar
    #   pythran
    #   qcportal
    #   scikit-learn
    #   scipy
    #   seaborn
    #   spglib
    #   stacie
    #   tables
    #   tidynamics
    #   waterdynamics
openmm==8.3.0
    # via
    #   -r requirements_python-3.13.in
    #   pdbfixer
overrides==7.7.0
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-server
packaging==25.0
    # via
    #   deprecation
    #   ipykernel
    #   jupyter-events
    #   jupyter-packaging
    #   jupyter-server
    #   jupyterlab
    #   jupyterlab-server
    #   matplotlib
    #   mdanalysis
    #   mdtraj
    #   nbconvert
    #   pooch
    #   pyproject-metadata
    #   pytest
    #   qcelemental
    #   qcportal
    #   sphinx
    #   tables
pandas==2.3.0
    # via
    #   -r requirements_python-3.13.in
    #   qcportal
    #   seaborn
pandocfilters==1.5.1
    # via
    #   -r requirements_python-3.13.in
    #   nbconvert
parso==0.8.4
    # via
    #   -r requirements_python-3.13.in
    #   jedi
pastel==0.2.1
    # via -r requirements_python-3.13.in
path==17.0.0
    # via stacie
pathlib2==2.3.7.post1
    # via -r requirements_python-3.13.in
pathsimanalysis==1.2.0
    # via -r requirements_python-3.13.in
pathspec==0.12.1
    # via -r requirements_python-3.13.in
pbr==6.1.1
    # via -r requirements_python-3.13.in
pdbfixer @ git+https://github.com/openmm/pdbfixer.git@v1.11
    # via -r requirements_python-3.13.in
pexpect==4.9.0
    # via
    #   -r requirements_python-3.13.in
    #   ipython
pickleshare==0.7.5
    # via -r requirements_python-3.13.in
pillow==12.1.1
    # via
    #   -r requirements_python-3.13.in
    #   matplotlib
pint==0.24.4
    # via
    #   -r requirements_python-3.13.in
    #   qcportal
pkginfo==1.12.1.2
    # via -r requirements_python-3.13.in
platformdirs==4.3.7
    # via
    #   -r requirements_python-3.13.in
    #   blosc2
    #   jupyter-core
    #   pint
    #   pooch
    #   virtualenv
pluggy==1.5.0
    # via
    #   -r requirements_python-3.13.in
    #   pytest
ply==3.11
    # via
    #   -r requirements_python-3.13.in
    #   pythran
pooch==1.8.2
    # via -r requirements_python-3.13.in
pre-commit==4.3.0
    # via -r requirements_python-3.13.in
prometheus-client==0.22.1
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-server
prompt-toolkit==3.0.51
    # via
    #   -r requirements_python-3.13.in
    #   ipython
psutil==7.0.0
    # via
    #   -r requirements_python-3.13.in
    #   ipykernel
ptyprocess==0.7.0
    # via
    #   -r requirements_python-3.13.in
    #   pexpect
    #   terminado
pure-eval==0.2.3
    # via
    #   -r requirements_python-3.13.in
    #   stack-data
py==1.11.0
    # via -r requirements_python-3.13.in
py-cpuinfo==9.0.0
    # via
    #   -r requirements_python-3.13.in
    #   blosc2
    #   tables
py-expression-eval==0.3.14
    # via -r requirements_python-3.13.in
pyasn1==0.6.1
    # via -r requirements_python-3.13.in
pycparser==2.22
    # via
    #   -r requirements_python-3.13.in
    #   cffi
pycryptodome==3.22.0
    # via -r requirements_python-3.13.in
pydantic==2.11.7
    # via
    #   -r requirements_python-3.13.in
    #   qcelemental
    #   qcportal
pydantic-core==2.33.2
    # via
    #   -r requirements_python-3.13.in
    #   pydantic
pydevtool==0.3.0
    # via -r requirements_python-3.13.in
pygments==2.19.1
    # via
    #   -r requirements_python-3.13.in
    #   ipython
    #   ipython-pygments-lexers
    #   nbconvert
    #   rich
    #   sphinx
pyjwt==2.10.1
    # via
    #   -r requirements_python-3.13.in
    #   qcportal
pylev==1.4.0
    # via -r requirements_python-3.13.in
pymbar==4.0.3
    # via -r requirements_python-3.13.in
pynacl==1.5.0
    # via -r requirements_python-3.13.in
pyparsing==3.2.3
    # via
    #   -r requirements_python-3.13.in
    #   matplotlib
    #   mdtraj
pyproject-metadata==0.9.1
    # via -r requirements_python-3.13.in
pyrsistent==0.20.0
    # via -r requirements_python-3.13.in
pytest==8.3.5
    # via
    #   -r requirements_python-3.13.in
    #   pytest-mock
    #   pytest-xdist
pytest-mock==3.14.1
    # via -r requirements_python-3.13.in
pytest-xdist==3.6.1
    # via -r requirements_python-3.13.in
python-constraint==1.4.0
    # via -r requirements_python-3.13.in
python-dateutil==2.9.0.post0
    # via
    #   -r requirements_python-3.13.in
    #   arrow
    #   bson
    #   jupyter-client
    #   matplotlib
    #   pandas
    #   qcportal
python-json-logger==3.3.0
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-events
pythran==0.18.0
    # via -r requirements_python-3.13.in
pytoml==0.1.21
    # via
    #   -r requirements_python-3.13.in
    #   intreehooks
pytz==2025.2
    # via
    #   -r requirements_python-3.13.in
    #   pandas
    #   qcportal
pyyaml==6.0.2
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-events
    #   pre-commit
    #   qcportal
pyzmq==27.0.0
    # via
    #   -r requirements_python-3.13.in
    #   ipykernel
    #   jupyter-client
    #   jupyter-server
qcelemental==0.29.0
    # via
    #   -r requirements_python-3.13.in
    #   qcportal
qcportal==0.62
    # via -r requirements_python-3.13.in
rapidfuzz==3.13.0
    # via
    #   -r requirements_python-3.13.in
    #   cleo
referencing==0.36.2
    # via
    #   -r requirements_python-3.13.in
    #   jsonschema
    #   jsonschema-specifications
    #   jupyter-events
regex==2024.11.6
    # via -r requirements_python-3.13.in
requests==2.32.5
    # via
    #   -r requirements_python-3.13.in
    #   blosc2
    #   cachecontrol
    #   jupyterlab-server
    #   pooch
    #   qcportal
    #   requests-toolbelt
    #   sphinx
requests-toolbelt==1.0.0
    # via -r requirements_python-3.13.in
rfc3339-validator==0.1.4
    # via
    #   -r requirements_python-3.13.in
    #   jsonschema
    #   jupyter-events
rfc3986-validator==0.1.1
    # via
    #   -r requirements_python-3.13.in
    #   jsonschema
    #   jupyter-events
rich==14.0.0
    # via
    #   -r requirements_python-3.13.in
    #   rich-click
rich-click==1.8.8
    # via -r requirements_python-3.13.in
roman-numerals-py==3.1.0
    # via
    #   -r requirements_python-3.13.in
    #   sphinx
rpds-py==0.25.1
    # via
    #   -r requirements_python-3.13.in
    #   jsonschema
    #   referencing
scikit-learn==1.7.0
    # via -r requirements_python-3.13.in
scipy==1.16.2
    # via
    #   ase
    #   griddataformats
    #   mdanalysis
    #   mdtraj
    #   pathsimanalysis
    #   pymbar
    #   scikit-learn
    #   stacie
seaborn==0.13.2
    # via -r requirements_python-3.13.in
secretstorage==3.3.3
    # via
    #   -r requirements_python-3.13.in
    #   keyring
semantic-version==2.10.0
    # via -r requirements_python-3.13.in
send2trash==1.8.3
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-server
shellingham==1.5.4
    # via -r requirements_python-3.13.in
simplejson==3.20.1
    # via -r requirements_python-3.13.in
six==1.17.0
    # via
    #   -r requirements_python-3.13.in
    #   bson
    #   ecdsa
    #   html5lib
    #   pathlib2
    #   python-dateutil
    #   rfc3339-validator
sniffio==1.3.1
    # via
    #   -r requirements_python-3.13.in
    #   anyio
snowballstemmer==2.2.0
    # via
    #   -r requirements_python-3.13.in
    #   sphinx
sortedcontainers==2.4.0
    # via -r requirements_python-3.13.in
soupsieve==2.7
    # via
    #   -r requirements_python-3.13.in
    #   beautifulsoup4
spglib==2.6.0
    # via -r requirements_python-3.13.in
sphinx==8.2.3
    # via
    #   -r requirements_python-3.13.in
    #   sphinxcontrib-websupport
sphinx-bootstrap-theme==0.8.1
    # via -r requirements_python-3.13.in
sphinxcontrib-applehelp==2.0.0
    # via
    #   -r requirements_python-3.13.in
    #   sphinx
sphinxcontrib-devhelp==2.0.0
    # via
    #   -r requirements_python-3.13.in
    #   sphinx
sphinxcontrib-htmlhelp==2.1.0
    # via
    #   -r requirements_python-3.13.in
    #   sphinx
sphinxcontrib-jsmath==1.0.1
    # via
    #   -r requirements_python-3.13.in
    #   sphinx
sphinxcontrib-qthelp==2.0.0
    # via
    #   -r requirements_python-3.13.in
    #   sphinx
sphinxcontrib-serializinghtml==2.0.0
    # via
    #   -r requirements_python-3.13.in
    #   sphinx
    #   sphinxcontrib-websupport
sphinxcontrib-websupport==2.0.0
    # via -r requirements_python-3.13.in
stacie==1.0.0
    # via -r requirements_python-3.13.in
stack-data==0.6.3
    # via
    #   -r requirements_python-3.13.in
    #   ipython
tables==3.10.2
    # via -r requirements_python-3.13.in
tabulate==0.9.0
    # via
    #   -r requirements_python-3.13.in
    #   qcportal
terminado==0.18.1
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-server
    #   jupyter-server-terminals
threadpoolctl==3.6.0
    # via
    #   -r requirements_python-3.13.in
    #   mdanalysis
    #   scikit-learn
tidynamics==1.1.2
    # via -r requirements_python-3.13.in
tinycss2==1.4.0
    # via
    #   -r requirements_python-3.13.in
    #   bleach
toml==0.10.2
    # via -r requirements_python-3.13.in
tomli-w==1.2.0
    # via -r requirements_python-3.13.in
tomlkit==0.13.2
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-packaging
tornado==6.5.1
    # via
    #   -r requirements_python-3.13.in
    #   ipykernel
    #   jupyter-client
    #   jupyter-server
    #   jupyterlab
    #   notebook
    #   terminado
tqdm==4.67.1
    # via
    #   -r requirements_python-3.13.in
    #   mdanalysis
    #   qcportal
traitlets==5.14.3
    # via
    #   -r requirements_python-3.13.in
    #   comm
    #   ipykernel
    #   ipython
    #   ipywidgets
    #   jupyter-client
    #   jupyter-core
    #   jupyter-events
    #   jupyter-server
    #   jupyterlab
    #   matplotlib-inline
    #   nbclient
    #   nbconvert
    #   nbformat
types-python-dateutil==2.9.0.20250822
    # via arrow
typing-extensions==4.14.0
    # via
    #   -r requirements_python-3.13.in
    #   beautifulsoup4
    #   cattrs
    #   flexcache
    #   flexparser
    #   pint
    #   pydantic
    #   pydantic-core
    #   qcportal
    #   rich-click
    #   tables
    #   typing-inspection
typing-inspection==0.4.1
    # via
    #   -r requirements_python-3.13.in
    #   pydantic
tzdata==2025.2
    # via
    #   -r requirements_python-3.13.in
    #   pandas
ujson==5.10.0
    # via -r requirements_python-3.13.in
uri-template==1.3.0
    # via jsonschema
urllib3==2.5.0
    # via
    #   -r requirements_python-3.13.in
    #   dulwich
    #   requests
versioneer==0.29
    # via -r requirements_python-3.13.in
virtualenv==20.29.2
    # via
    #   -r requirements_python-3.13.in
    #   pre-commit
waterdynamics==1.2.0
    # via -r requirements_python-3.13.in
wcwidth==0.2.13
    # via
    #   -r requirements_python-3.13.in
    #   prompt-toolkit
webcolors==24.11.1
    # via jsonschema
webencodings==0.5.1
    # via
    #   -r requirements_python-3.13.in
    #   bleach
    #   html5lib
    #   tinycss2
websocket-client==1.8.0
    # via
    #   -r requirements_python-3.13.in
    #   jupyter-server
werkzeug==3.1.3
    # via
    #   -r requirements_python-3.13.in
    #   flask
    #   flask-cors
wheel==0.45.1
    # via jupyter-packaging
widgetsnbextension==4.0.14
    # via
    #   -r requirements_python-3.13.in
    #   ipywidgets
xlrd==2.0.1
    # via -r requirements_python-3.13.in
xmltodict==0.14.2
    # via -r requirements_python-3.13.in
zipfile36==0.1.3
    # via -r requirements_python-3.13.in
zipp==3.21.0
    # via
    #   -r requirements_python-3.13.in
    #   importlib-metadata
zstandard==0.23.0
    # via
    #   -r requirements_python-3.13.in
    #   qcportal

# The following packages are considered to be unsafe in a requirements file:
# setuptools