1h59_summary.json

{
  "total_structures": 1,
  "total_time_seconds": 15.76,
  "total_time_minutes": 0.26,
  "time_per_structure": {
    "mean": 15.763,
    "std": 0.0,
    "min": 15.763,
    "max": 15.763
  },
  "output_file": "output/1h59_interact_scores.json",
  "input_file": "downloads/pdbs/1h59.cif",
  "start_idx": 0,
  "num_lines": null,
  "device": "cuda",
  "gpu_memory_mb": {
    "mean": 706.54,
    "max": 706.54
  }
}