by Hello-QM · Agent Tool · ★ 151
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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. CatGo draws on MatterViz by Janosh Riebesell for inspiration: the 3D structure viewer, periodic table, and several core UI components originate from MatterViz, though they have been substantially modified in CatGo. On top of that foundation, CatGo adds the catalysis pipeline, workflow engine, HPC integration, CatBot, and plugin system. We
| Stars | 151 |
| Forks | 14 |
| Language | TypeScript |
| Category | Agent Tool |
| License | AGPL-3.0 |
| Quality Score | 61.2310488318128/100 |
| Last Updated | 2026-07-02 |
| Created | 2026-04-29 |
| Platforms | node |
| Est. Tokens | ~20k |
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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 151 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 151 stars and 14 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.
The top alternatives to catgo-LRG on Agent Skills Hub include vestige, wcgw, Deep-Research-skills. Each offers a different approach to the same problem space — compare them side-by-side by stars, quality score, and community activity.