Workbench for Computational Materials Science
"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 is a Tauri desktop app with SvelteKit frontend and FastAPI Python backend."