platformdirs

[all]
build
coverage
fastapi
freesasa>=2.2
httpx
ipymolstar==0.1.0
ipywidgets
jsonschema
jupyterlab
jupyterlab_widgets
molviewspec==1.8.1
msgpack
mypy<2
nbformat
nox
numpy
pyyaml
python-multipart
pytest
pytest-cov
ruff
scipy
types-PyYAML
tox
uvicorn

[all:python_version >= "3.10"]
openmm>=8.2
pdbfixer==1.12.0

[dev]
build
coverage
fastapi
freesasa>=2.2
httpx
jsonschema
msgpack
mypy<2
nox
numpy
pyyaml
python-multipart
pytest
pytest-cov
ruff
scipy
types-PyYAML
tox
uvicorn

[dev:python_version >= "3.10"]
openmm>=8.2
pdbfixer==1.12.0

[notebook]
ipymolstar==0.1.0
ipywidgets
jupyterlab
jupyterlab_widgets
molviewspec==1.8.1
nbformat

[openmm]

[openmm:python_version >= "3.10"]
openmm>=8.2
pdbfixer==1.12.0

[scientific]
freesasa>=2.2
msgpack
numpy
scipy

[scientific:python_version >= "3.10"]
openmm>=8.2
pdbfixer==1.12.0

[training]
freesasa>=2.2
jsonschema
msgpack
numpy
pyyaml
scipy

[training-full]
freesasa>=2.2
jsonschema
msgpack
numpy
pyyaml
scipy

[training-full:python_version >= "3.10"]
openmm>=8.2
pdbfixer==1.12.0

[web]
fastapi
python-multipart
uvicorn
