1gzy_summary.json

{
  "total_structures": 1,
  "total_time_seconds": 11.25,
  "total_time_minutes": 0.19,
  "time_per_structure": {
    "mean": 11.2436,
    "std": 0.0,
    "min": 11.2436,
    "max": 11.2436
  },
  "output_file": "output/1gzy_interact_scores.json",
  "input_file": "downloads/pdbs/1gzy.cif",
  "start_idx": 0,
  "num_lines": null,
  "device": "cuda",
  "gpu_memory_mb": {
    "mean": 428.65,
    "max": 428.65
  }
}