by Hello-QM · Agent Tool · ★ 155
CatGo AI-driven workbench for computational materials science. 简体中文 CatGo is a desktop application that combines an interactive 3D structure viewer, a natural-language AI assistant (CatBot), a visual DAG workflow engine, and HPC integration into a single tool. It is designed for catalysis and surface-science research — building slabs and adsorbates, generating DFT/MD/ML inputs, submitting and monitoring jobs on remote clusters, and post-processing the results — all from one window.
| Stars | 155 |
| Forks | 15 |
| Language | TypeScript |
| Category | Agent Tool |
| License | AGPL-3.0 |
| Quality Score | 61.2310488318128/100 |
| Open Issues | 1 |
| Last Updated | 2026-07-08 |
| Created | 2026-04-29 |
| Platforms | node |
| Est. Tokens | ~20k |
These tools work well together with catgo-LRG for enhanced workflows:
Explore other popular agent tool tools:
catgo-LRG is AI-driven workbench for computational materials science — interactive 3D structure viewer, natural-language CatBot assistant, visual DAG workflow engine, HPC job submission. Tauri desktop app with Sve. It is categorized as a Agent Tool with 155 GitHub stars.
catgo-LRG is primarily written in TypeScript. It covers topics such as ase, catalysis, computational-chemistry.
You can find installation instructions and usage details in the catgo-LRG GitHub repository at github.com/Hello-QM/catgo-LRG. The project has 155 stars and 15 forks, indicating an active community.
catgo-LRG is released under the AGPL-3.0 license, making it free to use and modify according to the license terms.