conformer-qc>=0.1.0
atomdriver-qc>=0.1.2
numpy>=1.21
scipy>=1.7
Click
tdqm
peewee<4.0,>=3.16
pydantic<3.0,>=2.7
networkx<4.0,>=3.1
lru-dict>=1.3
xarray>=2024.6

[build]
build
twine

[dev]
esbonio
licenseheaders
ruff
unittest-xml-reporting

[docs]
sphinx
sphinx-autodoc-typehints
sphinxcontrib-katex
furo
