by pnnl · Agent Tool · ★ 50
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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. Just as the cactus thrives in the harsh desert environment, adapting to limited resources and extreme conditions, CACTUS has been implemented by Pacific Northwest National Laboratory (PNNL) Scientists to navigate the compl
| Stars | 50 |
| Forks | 12 |
| Language | Jupyter Notebook |
| Category | Agent Tool |
| License | BSD-2-Clause |
| Quality Score | 37.75/100 |
| 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.
The top alternatives to cactus on Agent Skills Hub include Roy, clientai, rigorous. Each offers a different approach to the same problem space — compare them side-by-side by stars, quality score, and community activity.