rdkit==2026.3.3
gemmi>=0.7.0
pandas>=2.0
numpy>=1.24

[admet]
admet-ai>=0.1.0

[dev]
pytest>=7.0
jsonschema>=4.18

[docking]
meeko>=0.6.1
scipy>=1.11

[gui]
PyQt5>=5.15

[inference]
openbabel-wheel>=3.1.1.1

[prior-build]
pyarrow>=20.0
duckdb>=1.4
