Tutorials¶
Step-by-step guides for common materials science workflows using AtomGPT.org and the AGAPI Python client.
| Tutorial | Description | Time |
|---|---|---|
| Getting Started with JARVIS | Load data, manipulate structures, query databases | 10 min |
| ML Property Prediction | Predict band gaps and formation energies with ALIGNN | 15 min |
| ALIGNN-FF Molecular Dynamics | Run MD simulations with the universal force field | 15 min |
| Quantum VQE for Solids | VQE/VQD on Wannier Hamiltonians with Qiskit | 20 min |
| Building Custom Apps | Add your own web app to AtomGPT.org | 30 min |
Run in Colab
All tutorials can be run in Google Colab — no local setup needed.