pandas>=1.0.3
rxn-chem-utils>=1.0.3
scipy>=1.4.1
torch<2.1,>=1.5.0
transformers<4.9.0,>=4.0.0

[dev]
black>=22.1.0
bump2version>=1.0.1
flake8>=3.7.9
isort>=5.10.0
mypy>=0.910
pytest>=5.4.1
sphinx-rtd-theme==0.4.3
sphinx==2.2.1
twine==3.1.1
types-setuptools>=62.6.0

[rdkit]

[rdkit:python_version < "3.7"]
rdkit-pypi>=2021.3.2

[rdkit:python_version >= "3.7"]
rdkit>=2022.3.4
