{
  "summary": {
    "generated_at": "2026-05-18T08:13:18.363Z",
    "scope": "Selective Phase 1A repeat controls for one hard/coverage target and one long-bin target; complements the existing 13CZ:A repeat/cache control.",
    "model": "simplefold-3b",
    "route": "direct local SimpleFold CLI on M3 Max",
    "target_count": 2,
    "run_count": 6,
    "target_summaries": [
      {
        "target_label": "11BC:C",
        "repeat_role": "hard_coverage_control",
        "n": 3,
        "interpretation": "Complex-derived hard target; repeat controls test whether low aligned-residue coverage and lower scores are stable properties of the reference/scoring setup.",
        "stats": {
          "plddt_mean": {
            "n": 3,
            "min": 80.0686,
            "median": 80.7909,
            "max": 81.2384,
            "mean": 80.6993
          },
          "wall_clock_seconds": {
            "n": 3,
            "min": 171.85,
            "median": 299.255,
            "max": 337.455,
            "mean": 269.52
          },
          "peak_memory_gb": {
            "n": 3,
            "min": 33.1656,
            "median": 33.4526,
            "max": 41.406,
            "mean": 36.0081
          },
          "lddt": {
            "n": 3,
            "min": 0.7441,
            "median": 0.7492,
            "max": 0.7553,
            "mean": 0.7495
          },
          "tm_score": {
            "n": 3,
            "min": 0.6468,
            "median": 0.652,
            "max": 0.6569,
            "mean": 0.6519
          },
          "rmsd": {
            "n": 3,
            "min": 1.97,
            "median": 2.19,
            "max": 2.24,
            "mean": 2.1333
          },
          "lddt_residues_aligned": {
            "n": 3,
            "min": 63,
            "median": 63,
            "max": 63,
            "mean": 63
          }
        }
      },
      {
        "target_label": "9K9Y:A",
        "repeat_role": "long_bin_control",
        "n": 3,
        "interpretation": "Long enzyme/ligand-context target; repeat controls test long-target runtime, memory, and structural-score stability without making ligand-placement claims.",
        "stats": {
          "plddt_mean": {
            "n": 3,
            "min": 95.6187,
            "median": 95.8859,
            "max": 96.2908,
            "mean": 95.9318
          },
          "wall_clock_seconds": {
            "n": 3,
            "min": 753.399,
            "median": 806.112,
            "max": 889.108,
            "mean": 816.2063
          },
          "peak_memory_gb": {
            "n": 3,
            "min": 32.9903,
            "median": 34.1274,
            "max": 34.3462,
            "mean": 33.8213
          },
          "lddt": {
            "n": 3,
            "min": 0.9071,
            "median": 0.9131,
            "max": 0.9157,
            "mean": 0.912
          },
          "tm_score": {
            "n": 3,
            "min": 0.9792,
            "median": 0.9826,
            "max": 0.9835,
            "mean": 0.9818
          },
          "rmsd": {
            "n": 3,
            "min": 1.05,
            "median": 1.07,
            "max": 1.2,
            "mean": 1.1067
          },
          "lddt_residues_aligned": {
            "n": 3,
            "min": 487,
            "median": 487,
            "max": 487,
            "mean": 487
          }
        }
      }
    ],
    "interpretation": [
      "11BC:C repeats preserve the 63-residue aligned-reference caveat and similar lDDT/TM-score values.",
      "9K9Y:A repeats preserve high lDDT/TM-score values while wall-clock varies across runs.",
      "Peak RSS remains in the low-to-mid 30 GB range for these repeats, reinforcing runtime rather than OOM as the practical long-target limit under this route."
    ]
  },
  "rows": [
    {
      "target_label": "11BC:C",
      "repeat_role": "hard_coverage_control",
      "run_id": "phase1-science-slice-2026-05-14-simplefold-3b-11bc",
      "generated_at": "2026-05-14T10:27:51.332072Z",
      "model": "simplefold-3b",
      "route": "local_simplefold_cli",
      "seed": 0,
      "n_samples": 1,
      "plddt_mean": 81.2384,
      "wall_clock_seconds": 337.455,
      "peak_memory_gb": 41.406,
      "lddt": 0.7492,
      "tm_score": 0.6569,
      "rmsd": 1.97,
      "lddt_residues_aligned": 63,
      "lddt_sequence_identity": 1,
      "lddt_chain_matching": "single_chain_sequence_alignment",
      "prediction_ok": true,
      "score_ok": true,
      "card_path": "pilot/local-runner/results-phase1-benchmark/phase1-science-slice-2026-05-14-simplefold-3b-11bc/card.json",
      "public_artifact_path": "/eigen-reprod-atlas/results/phase1-simplefold3b-benchmark-slices/11bc/card.json",
      "interpretation": "Complex-derived hard target; repeat controls test whether low aligned-residue coverage and lower scores are stable properties of the reference/scoring setup."
    },
    {
      "target_label": "11BC:C",
      "repeat_role": "hard_coverage_control",
      "run_id": "phase1a-repeat-2026-05-18-simplefold-3b-11bcc-r2",
      "generated_at": "2026-05-18T07:37:29.543Z",
      "model": "simplefold-3b",
      "route": "local_simplefold_cli",
      "seed": 0,
      "n_samples": 1,
      "plddt_mean": 80.0686,
      "wall_clock_seconds": 171.85,
      "peak_memory_gb": 33.1656,
      "lddt": 0.7441,
      "tm_score": 0.652,
      "rmsd": 2.24,
      "lddt_residues_aligned": 63,
      "lddt_sequence_identity": 1,
      "lddt_chain_matching": "single_chain_sequence_alignment",
      "prediction_ok": true,
      "score_ok": true,
      "card_path": "pilot/local-runner/results-phase1a-repeats/phase1a-repeat-2026-05-18-simplefold-3b-11bcc-r2/card.json",
      "public_artifact_path": "/eigen-reprod-atlas/data/phase1a_repeat_controls.json",
      "interpretation": "Complex-derived hard target; repeat controls test whether low aligned-residue coverage and lower scores are stable properties of the reference/scoring setup."
    },
    {
      "target_label": "11BC:C",
      "repeat_role": "hard_coverage_control",
      "run_id": "phase1a-repeat-2026-05-18-simplefold-3b-11bcc-r3",
      "generated_at": "2026-05-18T07:42:51.069Z",
      "model": "simplefold-3b",
      "route": "local_simplefold_cli",
      "seed": 0,
      "n_samples": 1,
      "plddt_mean": 80.7909,
      "wall_clock_seconds": 299.255,
      "peak_memory_gb": 33.4526,
      "lddt": 0.7553,
      "tm_score": 0.6468,
      "rmsd": 2.19,
      "lddt_residues_aligned": 63,
      "lddt_sequence_identity": 1,
      "lddt_chain_matching": "single_chain_sequence_alignment",
      "prediction_ok": true,
      "score_ok": true,
      "card_path": "pilot/local-runner/results-phase1a-repeats/phase1a-repeat-2026-05-18-simplefold-3b-11bcc-r3/card.json",
      "public_artifact_path": "/eigen-reprod-atlas/data/phase1a_repeat_controls.json",
      "interpretation": "Complex-derived hard target; repeat controls test whether low aligned-residue coverage and lower scores are stable properties of the reference/scoring setup."
    },
    {
      "target_label": "9K9Y:A",
      "repeat_role": "long_bin_control",
      "run_id": "phase1a-2026-05-17-simplefold-3b-9k9ya",
      "generated_at": "2026-05-17T08:38:53.455Z",
      "model": "simplefold-3b",
      "route": "local_simplefold_cli",
      "seed": 0,
      "n_samples": 1,
      "plddt_mean": 96.2908,
      "wall_clock_seconds": 753.399,
      "peak_memory_gb": 34.1274,
      "lddt": 0.9157,
      "tm_score": 0.9826,
      "rmsd": 1.07,
      "lddt_residues_aligned": 487,
      "lddt_sequence_identity": 1,
      "lddt_chain_matching": "single_chain_sequence_alignment",
      "prediction_ok": true,
      "score_ok": true,
      "card_path": "pilot/local-runner/results-phase1a/phase1a-2026-05-17-simplefold-3b-9k9ya/card.json",
      "public_artifact_path": "/eigen-reprod-atlas/results/phase1a-simplefold3b/9k9ya/card.json",
      "interpretation": "Long enzyme/ligand-context target; repeat controls test long-target runtime, memory, and structural-score stability without making ligand-placement claims."
    },
    {
      "target_label": "9K9Y:A",
      "repeat_role": "long_bin_control",
      "run_id": "phase1a-repeat-2026-05-18-simplefold-3b-9k9ya-r2",
      "generated_at": "2026-05-18T07:58:05.398Z",
      "model": "simplefold-3b",
      "route": "local_simplefold_cli",
      "seed": 0,
      "n_samples": 1,
      "plddt_mean": 95.6187,
      "wall_clock_seconds": 889.108,
      "peak_memory_gb": 32.9903,
      "lddt": 0.9071,
      "tm_score": 0.9792,
      "rmsd": 1.2,
      "lddt_residues_aligned": 487,
      "lddt_sequence_identity": 1,
      "lddt_chain_matching": "single_chain_sequence_alignment",
      "prediction_ok": true,
      "score_ok": true,
      "card_path": "pilot/local-runner/results-phase1a-repeats/phase1a-repeat-2026-05-18-simplefold-3b-9k9ya-r2/card.json",
      "public_artifact_path": "/eigen-reprod-atlas/data/phase1a_repeat_controls.json",
      "interpretation": "Long enzyme/ligand-context target; repeat controls test long-target runtime, memory, and structural-score stability without making ligand-placement claims."
    },
    {
      "target_label": "9K9Y:A",
      "repeat_role": "long_bin_control",
      "run_id": "phase1a-repeat-2026-05-18-simplefold-3b-9k9ya-r3",
      "generated_at": "2026-05-18T08:11:56.700Z",
      "model": "simplefold-3b",
      "route": "local_simplefold_cli",
      "seed": 0,
      "n_samples": 1,
      "plddt_mean": 95.8859,
      "wall_clock_seconds": 806.112,
      "peak_memory_gb": 34.3462,
      "lddt": 0.9131,
      "tm_score": 0.9835,
      "rmsd": 1.05,
      "lddt_residues_aligned": 487,
      "lddt_sequence_identity": 1,
      "lddt_chain_matching": "single_chain_sequence_alignment",
      "prediction_ok": true,
      "score_ok": true,
      "card_path": "pilot/local-runner/results-phase1a-repeats/phase1a-repeat-2026-05-18-simplefold-3b-9k9ya-r3/card.json",
      "public_artifact_path": "/eigen-reprod-atlas/data/phase1a_repeat_controls.json",
      "interpretation": "Long enzyme/ligand-context target; repeat controls test long-target runtime, memory, and structural-score stability without making ligand-placement claims."
    }
  ]
}