| { | |
| "adapter": { | |
| "accepted_campaigns": 160, | |
| "accepted_rows": 245945, | |
| "rejected_rows": 216147, | |
| "rejection_reasons": { | |
| "aa_sequence contains non-canonical residues: #": 99, | |
| "aa_sequence contains non-canonical residues: #.": 123, | |
| "aa_sequence contains non-canonical residues: *": 45890, | |
| "fitness_value is missing or non-numeric": 3447, | |
| "reaction SMILES must contain exactly one >> separator": 20, | |
| "reaction has no concrete carbon-containing reactant": 166568 | |
| }, | |
| "source_files": 179, | |
| "total_rows": 462092 | |
| }, | |
| "dataset": "EnzEngDB v1", | |
| "dataset_doi": "10.5281/zenodo.17310823", | |
| "exact_unikp_overlap": { | |
| "sequence": 2, | |
| "sequence_substrate_pair": 0, | |
| "substrate": 20333, | |
| "unikp_publication_overlap": "unavailable_no_record_level_citations" | |
| }, | |
| "frozen_selection": { | |
| "campaign_counts": { | |
| "DHFR": 2000, | |
| "ParLQ-a": 492, | |
| "ParLQ-b": 94, | |
| "ParLQ-c": 94, | |
| "ParLQ-d": 94, | |
| "ParLQ-e": 94, | |
| "ParLQ-f": 94, | |
| "ParLQ-g": 94, | |
| "ParLQ-h": 94, | |
| "ParLQ-i": 94, | |
| "PfTrpB_4-bromo": 241, | |
| "PfTrpB_4-cyano": 241, | |
| "PfTrpB_5-bromo": 241, | |
| "PfTrpB_5-chloro": 241, | |
| "PfTrpB_5-cyano": 241, | |
| "PfTrpB_5-iodo": 241, | |
| "PfTrpB_6-chloro": 241, | |
| "PfTrpB_7-bromo": 68, | |
| "PfTrpB_7-iodo": 241, | |
| "PfTrpB_7-methyl": 241, | |
| "Rma-CB": 162, | |
| "Rma-CSi": 162, | |
| "TrpB_3A": 2000, | |
| "TrpB_3B": 2000, | |
| "TrpB_3C": 2000, | |
| "TrpB_3D": 2000, | |
| "TrpB_3E": 2000, | |
| "TrpB_3F": 2000, | |
| "TrpB_3G": 2000, | |
| "TrpB_3H": 2000, | |
| "TrpB_3I": 2000, | |
| "TrpB_B4": 2000, | |
| "exp_0": 32, | |
| "exp_1": 96, | |
| "exp_11": 79, | |
| "exp_12": 54, | |
| "exp_13": 31, | |
| "exp_15": 28, | |
| "exp_16": 56, | |
| "exp_17": 29, | |
| "exp_19": 35, | |
| "exp_20": 41, | |
| "exp_201": 313, | |
| "exp_202": 316, | |
| "exp_25": 50, | |
| "exp_26": 20, | |
| "exp_27": 37, | |
| "exp_28": 27, | |
| "exp_29": 27, | |
| "exp_3": 20, | |
| "exp_30": 26, | |
| "exp_31": 180, | |
| "exp_33": 38, | |
| "exp_34": 21, | |
| "exp_35": 84, | |
| "exp_36": 397, | |
| "exp_37": 397, | |
| "exp_4": 28, | |
| "exp_6": 31, | |
| "exp_8": 37, | |
| "exp_9": 22, | |
| "exp_LLM101": 29, | |
| "exp_LLM12": 28, | |
| "exp_LLM15": 40, | |
| "exp_LLM16": 24, | |
| "exp_LLM21": 30, | |
| "exp_LLM23": 29, | |
| "exp_LLM26": 30, | |
| "exp_LLM27": 33, | |
| "exp_LLM3": 53, | |
| "exp_LLM39": 29, | |
| "exp_LLM42": 21, | |
| "exp_LLM43": 21, | |
| "exp_LLM44": 30, | |
| "exp_LLM47": 31, | |
| "exp_LLM55": 34, | |
| "exp_LLM6": 57, | |
| "exp_LLM62": 62, | |
| "exp_LLM83": 29, | |
| "exp_LLM84": 21, | |
| "exp_LLM87": 56, | |
| "exp_LLM89": 22, | |
| "exp_LLM9": 53, | |
| "exp_LLM91": 29, | |
| "exp_LLM93": 21, | |
| "exp_LLM97": 20, | |
| "exp_LLM98": 59 | |
| }, | |
| "campaigns": 87, | |
| "manifest": "<redacted-local-path>", | |
| "records": 29248 | |
| }, | |
| "homology_unikp_overlap": { | |
| "coverage": 0.8, | |
| "coverage_mode": 0, | |
| "hits_identity": { | |
| "row_count": 20426, | |
| "sha256": "02f29427fc99c41b5e80f4c7d5f8dcc16a613cdb8b0c6e0a721438fbf451ed6a", | |
| "size_bytes": 1838499 | |
| }, | |
| "hits_path": "<redacted-local-path>", | |
| "method": "MMseqs2 easy-search", | |
| "min_identity": 0.3, | |
| "selected_records_with_hit": 22823, | |
| "unique_external_sequences": 24205, | |
| "unique_sequences_with_hit": 20426 | |
| }, | |
| "license": "CC-BY-4.0", | |
| "limitations": [ | |
| "fitness_value has campaign-specific units and is valid only for within-campaign ranking.", | |
| "Largest concrete carbon-containing reactant is selected deterministically.", | |
| "Publication overlap cannot be audited because UniKP lacks row-level citations.", | |
| "Homology hits are reported, not silently removed from this transfer benchmark." | |
| ], | |
| "source_archive": "<redacted-local-path>", | |
| "source_archive_identity": { | |
| "row_count": 462092, | |
| "sha256": "8013ad81586db2187162aada0709c1cabc7e7d69f03dd5c199776aaf000dd6ea", | |
| "size_bytes": 30050527 | |
| } | |
| } |