https://github.com/hello-qm/catgo-lrg
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 SvelteKit frontend and FastAPI Python backend. Drives VASP, ORCA, CP2K, QE, GPAW, DFTB+, SIESTA, LAMMPS.
https://github.com/hello-qm/catgo-lrg
ase catalysis computational-chemistry cp2k dft hpc llm-agent materials-science orca pymatgen structure-viewer sveltekit tauri threejs vasp
Last synced: 27 days ago
JSON representation
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 SvelteKit frontend and FastAPI Python backend. Drives VASP, ORCA, CP2K, QE, GPAW, DFTB+, SIESTA, LAMMPS.
- Host: GitHub
- URL: https://github.com/hello-qm/catgo-lrg
- Owner: Hello-QM
- License: agpl-3.0
- Created: 2026-04-29T09:20:22.000Z (about 1 month ago)
- Default Branch: main
- Last Pushed: 2026-05-13T06:46:07.000Z (about 1 month ago)
- Last Synced: 2026-05-13T07:25:04.094Z (about 1 month ago)
- Topics: ase, catalysis, computational-chemistry, cp2k, dft, hpc, llm-agent, materials-science, orca, pymatgen, structure-viewer, sveltekit, tauri, threejs, vasp
- Language: TypeScript
- Size: 19.9 MB
- Stars: 0
- Watchers: 0
- Forks: 0
- Open Issues: 2