1b68_summary.json

{
  "total_structures": 1,
  "total_time_seconds": 22.0,
  "total_time_minutes": 0.37,
  "time_per_structure": {
    "mean": 22.0014,
    "std": 0.0,
    "min": 22.0014,
    "max": 22.0014
  },
  "output_file": "output/1b68_interact_scores.json",
  "input_file": "downloads/pdbs/1b68.cif",
  "start_idx": 0,
  "num_lines": null,
  "device": "cuda",
  "gpu_memory_mb": {
    "mean": 1035.62,
    "max": 1035.62
  }
}