Add 18 new HSF1/FOXO3/IGF1/IGFBP3/IGFALS structures (1gzr, 1gzy, 1gzz, 1h02, 1pmx, 1wqj, 2dsp, 2dsq, 2dsr, 2gf1, 3gf1, 3lri, 4xss, 5u8q, 6ff3, 6pyh, 6rva, 7wrq)
fac3d31 verified | { | |
| "total_structures": 1, | |
| "total_time_seconds": 22.65, | |
| "total_time_minutes": 0.38, | |
| "time_per_structure": { | |
| "mean": 22.6489, | |
| "std": 0.0, | |
| "min": 22.6489, | |
| "max": 22.6489 | |
| }, | |
| "output_file": "output/2dsp_interact_scores.json", | |
| "input_file": "downloads/pdbs/2dsp.cif", | |
| "start_idx": 0, | |
| "num_lines": null, | |
| "device": "cuda", | |
| "gpu_memory_mb": { | |
| "mean": 971.68, | |
| "max": 971.68 | |
| } | |
| } |