ChemCrow
An open-source Python package for chemistry tasks that combines a language model with chemistry tools and databases.
Description
ChemCrow is a research-oriented Python package for tasks that require chemical reasoning. It connects a language model with chemistry tools.
The repository lists integrations with RDKit, PaperQA, and chemistry databases including PubChem and ChemSpace. Users call the package from Python and provide a question to the agent.
A language-model API key is required, and some capabilities depend on external APIs. The public repository notes that it does not include every tool described in the research paper.
Sources: https://github.com/ur-whitelab/chemcrow-public, https://arxiv.org/abs/2304.05376 (official sources; reviewed 2026-11-01).
