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