{ "ready": true, "version": "fsbfpocket-all-scope-interactions-20260928", "diagnostic_only": false, "examples": 1240225, "shards": 4845, "source": "/extra/murrellb/BranchingLDDM/exports/protein_ligand_collection_v6_canonical_20260922", "source_complete": { "ready": true, "examples": 1240225, "manifest_csv_sha256": "8b701d70e26e9e069ebe94b1613d2fb048a719b57928094c6dd7c73eadf0e228", "manifest_parquet_sha256": "c7dc9dfff2b78a86e753d0ace3cf6bdbb2f603d2828a0bb7539044576c7f7758", "inventory_sha256": "773925dc295dbbe2c70acfc30ae9beee46c410cd11f2def53ba2c0c6259700ef", "sha256sums_sha256": "bcf3d36b2107bc594f8fb4201aa0d864be6c06dfa07424e0fdc18666d24c6a5c", "verification_sha256": "dca4017911744a4eacb4d92fd75cac1c5c9743e0f75a4311391e1ee403a1fb4f", "parent_manifest_sha256": "39163ac9d72ecabe9be1a48529a62aa2e880217417a6fba6b82b82e501e28678", "canonical_ligand_order": "canonical-heavy-graph-dfs-v1", "training_unchanged": true }, "source_manifest_sha256": "c7dc9dfff2b78a86e753d0ace3cf6bdbb2f603d2828a0bb7539044576c7f7758", "manifest_sha256": "06bc4e4c0c9e2a805719559005a84c7bbe6fcda00f24a2378611195a68cb98a2", "vocabulary": [ [ 5, -1, 0 ], [ 5, 0, 0 ], [ 5, 0, 1 ], [ 6, -1, 0 ], [ 6, -1, 1 ], [ 6, 0, 0 ], [ 6, 0, 1 ], [ 6, 0, 2 ], [ 6, 0, 3 ], [ 6, 1, 0 ], [ 6, 1, 1 ], [ 7, -2, 0 ], [ 7, -1, 0 ], [ 7, -1, 1 ], [ 7, 0, 0 ], [ 7, 0, 1 ], [ 7, 0, 2 ], [ 7, 1, 0 ], [ 7, 1, 1 ], [ 7, 1, 2 ], [ 7, 1, 3 ], [ 8, -1, 0 ], [ 8, 0, 0 ], [ 8, 0, 1 ], [ 9, 0, 0 ], [ 14, 0, 0 ], [ 15, 0, 0 ], [ 15, 0, 1 ], [ 15, 1, 0 ], [ 16, -1, 0 ], [ 16, 0, 0 ], [ 16, 0, 1 ], [ 16, 1, 0 ], [ 17, 0, 0 ], [ 26, 0, 0 ], [ 34, 0, 0 ], [ 35, 0, 0 ], [ 53, 0, 0 ], [ 80, 0, 0 ], [ 83, 0, 0 ] ], "splits_unchanged": true, "all_values_readback_checked": true, "all_input_hashes_checked": true, "aromatic_changed_rows": 20020392, "seconds": 3689.078926584916, "packed": true, "all_packed_values_readback_exact": true, "interaction_schema": "pli-interaction-evidence-v2-all-scopes", "annotation_source": "/extra/murrellb/BranchingLDDM/cache/interaction_evidence_v7_all_scopes_20260928", "annotation_complete_sha256": "d059ae28b25a7c4b27189f6f32a43cb6383b17172572ff95b7133a14ee340cca", "annotation_policy": { "schema": "pli-interaction-evidence-v2-all-scopes", "scopes": [ "ligand--ligand", "ligand--pocket", "pocket--pocket" ], "scope_by": "stored role, never peptide/protein chemical class", "peptide_intraligand_included": true, "pocket_pocket_interactions": true, "pair_radius_A": 8.0, "ring_candidate_centroid_radius_A": 8.0, "default_nonbonded_minimum_graph_separation": 3, "protein_chemistry": "ProLIF named-AA templates; HIS -> neutral HIE convention; ARG/LYS +1, ASP/GLU -1; no pH prediction", "protein_uncertainty": "All inferred; unsupported/incomplete residues remain geometry-only. 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