| 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", |
| 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", |
| |
| "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", |
| ], |
| ) |
|
|
