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ChemCrow
LangChain agent for chemistry-related tasks
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Official descriptionrk_bold.png" ChemCrow is an open source package for the accurate solution of reasoning-intensive chemical tasks.
- Source
- collected from the e2b-dev/awesome-ai-agents list · type: open-source project
- Harvest history
- first seen 2026-10-16 · last seen 2026-10-16 · seen 3× · listed by 2 sources
- Score
- score 203 · 2 sources · repo
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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).
🤗 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).
- Source
- awesome · https://github.com/ur-whitelab/chemcrow-public
- added
- yesterday