ChemCrow
A chemistry agent that performs tasks across synthesis, drug discovery, and materials design
ChemCrow at a Glance
- Pricing
- Free
- How you use it
- Python package; also offers a Hugging Face demo
- On GitHub
- 968 stars · MIT licence · last updated Dec 2024
- Works with
- LangChain RDKit PaperQA PubChem chem-space RXN4Chem OpenAI
Website last checked 28 Oct 2026
ChemCrow Key Features
- Access to chemical databases like Pubchem and chem-space
- Allows self-hosting of certain tools via Docker
- Integrates with RDKit for chemical informatics
- Supports paper-qa for literature queries
- Utilizes Langchain for building chemical reasoning tasks
ChemCrow Use Cases
- Chemical query resolution
- Integration with large language models for enhanced chemical reasoning
- Reaction product prediction
- Retrosynthetic planning
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