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ChemCrow

ChemCrow

LangChain agent for chemistry-related tasks
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官方说明rk_bold.png" ChemCrow is an open source package for the accurate solution of reasoning-intensive chemical tasks.
来源明细
收录自 e2b-dev/awesome-ai-agents 榜单(我们从中收集的条目之一) · 条目类型:开源项目
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收录于 2026-10-16 · 最近见到 2026-10-16 · 共见到 3 次 · 被 2 个来源列出
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综合分 203 · 2 个来源 · repo
常见问题(答案都来自我们的记录)
怎么安装?
我们【没有】从该仓库取到安装命令(我们的 install 覆盖率只有约 4%)。请看它的 README 或 releases 页。
它适合谁 / 用来做什么?
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谁维护它、还在更新吗?
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第三方质量标记

ChemCrow is an open source package for the accurate solution of reasoning-intens

以下摘录自该仓库的 README(片段) · 在 GitHub 读完整 README →

Built with Langchain, it uses a collection of chemical tools including RDKit, paper-qa, as well as some relevant databases in chemistry, like Pubchem and chem-space.
🤗 Try it out in HuggingFace!
⚠️ Note
This package does not contain all the tools described in the ChemCrow paper because
of API usage restrictions. This repo will not give the same results as that paper.
All the experiments have been released under ChemCrow runs.
👩‍💻 Installation
🔥 Usage
First set up your API keys in your environment.
You can optionally use Serp API:
In a Python session:
🛠️ Self-hosting of some tools.
By default, ChemCrow relies on the RXN4Chem API for retrosynthetic planning and reaction product prediction. This can however be slow and depends on you having an API key.
Optionally, you can also self host these tools by running some pre-made docker images.
Run
Now ChemCrow can be used like this:
✅ Citation
Bran, Andres M., et al. "ChemCrow: Augmenting large-language models with chemistry tools." arXiv preprint arXiv:2304.05376 (2023).
来源
awesome · https://github.com/ur-whitelab/chemcrow-public
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