1gzz_summary.json

{
  "total_structures": 1,
  "total_time_seconds": 11.75,
  "total_time_minutes": 0.2,
  "time_per_structure": {
    "mean": 11.749,
    "std": 0.0,
    "min": 11.749,
    "max": 11.749
  },
  "output_file": "output/1gzz_interact_scores.json",
  "input_file": "downloads/pdbs/1gzz.cif",
  "start_idx": 0,
  "num_lines": null,
  "device": "cuda",
  "gpu_memory_mb": {
    "mean": 443.18,
    "max": 443.18
  }
}