{
  "run_id": "molssi-ai--xnn-claude-haiku-5-5-1792336013293039160",
  "checker": {
    "check": "operation",
    "status": "PASS",
    "details": {
      "working": true,
      "argv": [
        "/tmp/xnnvenv/bin/python",
        "examples/quickstart.py"
      ],
      "kind": "cli",
      "returncode": 0,
      "stdout": "registered models: ['ani', 'bamboo', 'cnn3d', 'd3', 'd4', 'dimenet', 'dimenet++', 'dreiding', 'et', 'gemnet', 'hdnnp', 'nnp1g', 'opls', 'painn', 'physnet', 'pm3', 'pm6', 'pm6_org', 'pm7', 'reaxff', 's2cnn', 'schnet', 'se3cnn', 'spookynet', 'tensornet']\ntraining on cpu ...\nepoch    0 | train loss 2.0113e+00 (energy 2.001e+00, force 1.006e-02) | val loss 9.3130e-01 (energy 9.217e-01, force 9.634e-03)\n          val mae: energy 7.780e-01, forces 8.668e-02 | rmse: energy 9.600e-01, forces 9.815e-02\nepoch    1 | train loss 1.9449e+00 (energy 1.935e+00, force 1.005e-02) | val loss 8.7523e-01 (energy 8.656e-01, force 9.612e-03)\n          val mae: energy 7.424e-01, forces 8.653e-02 | rmse: energy 9.304e-01, forces 9.804e-02\nepoch    2 | train loss 1.8461e+00 (energy 1.836e+00, force 1.005e-02) | val loss 7.9367e-01 (energy 7.841e-01, force 9.546e-03)\n          val mae: energy 6.887e-01, forces 8.617e-02 | rmse: energy 8.855e-01, forces 9.770e-02\nenergy: -0.5602 | forces shape: (5, 3)",
      "stderr": "/tmp/xnnvenv/lib/python3.12/site-packages/xnn/gnn/__init__.py:13: UserWarning: xnn: the equivariant GNN models (NequIP/MACE/Allegro/CACE/AIMNet2) are unavailable: ModuleNotFoundError: No module named 'e3nn'\n  from . import featurizers, models  # noqa: E402",
      "needs_credentials": false,
      "needs_browser": false,
      "scope": "product operation"
    }
  },
  "diagnosis": null
}