by pnnl · Agent Tool · ★ 50
CACTUS 🌵 | Chemistry Agent Connecting Tool Usage to Science Introduction CACTUS is an innovative tool-augmented language model designed to assist researchers and chemists in various chemistry-related tasks. By integrating state-of-the-art language models with a suite of powerful cheminformatics tools, CACTUS provides an intelligent and efficient solution for exploring chemical space, predicting molecular properties, and accelerating drug discovery.
| Stars | 50 |
| Forks | 12 |
| Language | Jupyter Notebook |
| Category | Agent Tool |
| License | BSD-2-Clause |
| Quality Score | 70.0312960426253/100 |
| Open Issues | 4 |
| Last Updated | 2026-04-07 |
| Created | 2024-04-30 |
| Est. Tokens | ~1721k |
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cactus is LLM Agent that leverages cheminformatics tools to provide informed responses.. It is categorized as a Agent Tool with 50 GitHub stars.
cactus is primarily written in Jupyter Notebook. It covers topics such as cheminformatics, chemistry, foundation-models.
You can find installation instructions and usage details in the cactus GitHub repository at github.com/pnnl/cactus. The project has 50 stars and 12 forks, indicating an active community.
cactus is released under the BSD-2-Clause license, making it free to use and modify according to the license terms.