Large language models can be queried to perform chain-of-thought reasoning on text descriptions of data or computational tools, which can enable flexible and autonomous workflows. Bran et al. developed ChemCrow, a GPT-4-based agent that has access to computational chemistry tools and a robotic chemistry platform, which can autonomously solve tasks for designing or synthesizing chemicals such as drugs or materials.
- Andres M. Bran
- Sam Cox
- Philippe Schwaller