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from setuptools import find_packages, setup
exec(open("chemcrow/version.py").read())
with open("README.md", "r", encoding="utf-8") as fh:
long_description = fh.read()
setup(
name="chemcrow",
python_requires=">=3.9, <3.12", # this temporarily fixes molbloom install, which breaks with 3.12
version=__version__,
description="Accurate solution of reasoning-intensive chemical tasks, powered by LLMs.",
author="Andres M Bran, Sam Cox, Andrew White, Philippe Schwaller",
author_email="andrew.white@rochester.edu",
url="https://github.com/ur-whitelab/chemcrow-public",
license="MIT",
packages=find_packages(),
package_data={"chemcrow": ["data/chem_wep_smi.csv"]},
install_requires=[
"ipython",
"python-dotenv",
"rdkit",
"synspace",
"openai==0.27.8",
"molbloom",
"paper-qa==1.1.1",
"google-search-results",
"langchain>=0.0.234,<=0.0.275",
"langchain_core==0.0.1",
"nest_asyncio",
"tiktoken",
"rmrkl",
#"paper-scraper@git+https://github.com/blackadad/paper-scraper.git",
"streamlit",
"rxn4chemistry",
"duckduckgo-search",
"wikipedia",
],
test_suite="tests",
long_description=long_description,
long_description_content_type="text/markdown",
classifiers=[
"Programming Language :: Python :: 3.10",
"Programming Language :: Python :: 3.11",
"License :: OSI Approved :: MIT License",
"Operating System :: OS Independent",
],
)
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