numpy>=1.21
pandas>=1.3
scikit-learn>=1.0
PyYAML>=6.0

[dev]
pytest>=7.0
jsonschema>=4.0
cryptography>=41.0
pre-commit<5,>=4

[docs]
mkdocs<2,>=1.6
mkdocs-material<10,>=9.7

[matbench]
matminer<0.11,>=0.9.3

[opendp]
opendp<0.17,>=0.16.0

[proteingym]
biopython<2,>=1.81

[rdkit]
rdkit>=2023.9.1

[signing]
cryptography>=41.0

[tdc]
PyTDC==0.4.1
numpy<2,>=1.26.4
pandas<3,>=2.1.4
huggingface-hub<0.26,>=0.20.3
setuptools<81,>=77
