{ "status": "passed", "code_commit": "ae8a2acbb9a521f919f9b50876f83cdfbf43c713", "training_rows_before": 5324232, "training_rows": 2818007, "removed_upsampling_rows": 2506225, "filter": "molpo_dup_idx == 0; selections occurrence == 0", "original_repeated_records": "preserved", "all_retained_training_values_exact": true, "selections_anchor_order_matches_all_training_rows": true, "evaluation_unchanged": true, "canonical_training_sources_unchanged": true, "partitions": [ { "partition": "000-chebi-20-mol2text.parquet", "before": 4558, "after": 4558, "all_columns_exact": true, "selections_aligned": true }, { "partition": "001-chebi-20-text2mol.parquet", "before": 4558, "after": 4558, "all_columns_exact": true, "selections_aligned": true }, { "partition": "002-forward_reaction_prediction.parquet", "before": 107698, "after": 107698, "all_columns_exact": true, "selections_aligned": true }, { "partition": "003-qm9_homo.parquet", "before": 588300, "after": 117660, "all_columns_exact": true, 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"selections_aligned": true }, { "partition": "011-smol-retrosynthesis.parquet", "before": 940790, "after": 940790, "all_columns_exact": true, "selections_aligned": true }, { "partition": "012-bace.parquet", "before": 6950, "after": 1210, "all_columns_exact": true, "selections_aligned": true }, { "partition": "013-drugood-lbap-core-ec50-scaffold.parquet", "before": 2673, "after": 2673, "all_columns_exact": true, "selections_aligned": true }, { "partition": "014-drugood-lbap-core-ic50-scaffold.parquet", "before": 22025, "after": 22025, "all_columns_exact": true, "selections_aligned": true }, { "partition": "015-drugood-lbap-core-ki-scaffold.parquet", "before": 5075, "after": 5075, "all_columns_exact": true, "selections_aligned": true }, { "partition": "016-drugood-lbap-core-potency-scaffold.parquet", "before": 3361, "after": 3361, "all_columns_exact": true, "selections_aligned": true }, { "partition": "017-moleculeace-CHEMBL1862_Ki.parquet", "before": 5280, "after": 528, "all_columns_exact": true, "selections_aligned": true }, { "partition": "018-moleculeace-CHEMBL1871_Ki.parquet", "before": 4350, "after": 435, "all_columns_exact": true, "selections_aligned": true }, { "partition": "019-moleculeace-CHEMBL2034_Ki.parquet", "before": 5050, "after": 505, "all_columns_exact": true, "selections_aligned": true }, { "partition": "020-moleculeace-CHEMBL2047_EC50.parquet", "before": 4740, "after": 474, "all_columns_exact": true, "selections_aligned": true }, { "partition": "021-moleculeace-CHEMBL204_Ki.parquet", "before": 19690, "after": 1969, "all_columns_exact": true, "selections_aligned": true }, { "partition": "022-moleculeace-CHEMBL2147_Ki.parquet", "before": 11120, "after": 1112, "all_columns_exact": true, "selections_aligned": true }, { "partition": "023-moleculeace-CHEMBL214_Ki.parquet", "before": 24090, "after": 2409, "all_columns_exact": true, "selections_aligned": true }, { "partition": "024-moleculeace-CHEMBL218_EC50.parquet", "before": 7560, "after": 756, "all_columns_exact": true, "selections_aligned": true }, { "partition": "025-moleculeace-CHEMBL219_Ki.parquet", "before": 14030, "after": 1403, "all_columns_exact": true, "selections_aligned": true }, { "partition": "026-moleculeace-CHEMBL228_Ki.parquet", "before": 11670, "after": 1167, "all_columns_exact": true, "selections_aligned": true }, { "partition": "027-moleculeace-CHEMBL231_Ki.parquet", "before": 7270, "after": 727, "all_columns_exact": true, "selections_aligned": true }, { "partition": "028-moleculeace-CHEMBL233_Ki.parquet", "before": 23200, "after": 2320, "all_columns_exact": true, "selections_aligned": true }, { "partition": "029-moleculeace-CHEMBL234_Ki.parquet", "before": 25000, "after": 2500, "all_columns_exact": true, "selections_aligned": true }, { "partition": "030-moleculeace-CHEMBL235_EC50.parquet", "before": 16990, "after": 1699, "all_columns_exact": true, "selections_aligned": true }, { "partition": "031-moleculeace-CHEMBL236_Ki.parquet", "before": 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"before": 20170, "after": 2017, "all_columns_exact": true, "selections_aligned": true }, { "partition": "039-moleculeace-CHEMBL2835_Ki.parquet", "before": 4760, "after": 476, "all_columns_exact": true, "selections_aligned": true }, { "partition": "040-moleculeace-CHEMBL287_Ki.parquet", "before": 9040, "after": 904, "all_columns_exact": true, "selections_aligned": true }, { "partition": "041-moleculeace-CHEMBL2971_Ki.parquet", "before": 7480, "after": 748, "all_columns_exact": true, "selections_aligned": true }, { "partition": "042-moleculeace-CHEMBL3979_EC50.parquet", "before": 7920, "after": 792, "all_columns_exact": true, "selections_aligned": true }, { "partition": "043-moleculeace-CHEMBL4005_Ki.parquet", "before": 5450, "after": 545, "all_columns_exact": true, "selections_aligned": true }, { "partition": "044-moleculeace-CHEMBL4203_Ki.parquet", "before": 5520, "after": 552, "all_columns_exact": true, "selections_aligned": true }, { "partition": "045-moleculeace-CHEMBL4616_EC50.parquet", "before": 4820, "after": 482, "all_columns_exact": true, "selections_aligned": true }, { "partition": "046-moleculeace-CHEMBL4792_Ki.parquet", "before": 7820, "after": 782, "all_columns_exact": true, "selections_aligned": true }, { "partition": "047-smol-property_prediction-bbbp.parquet", "before": 12180, "after": 1569, "all_columns_exact": true, "selections_aligned": true }, { "partition": "048-smol-property_prediction-clintox.parquet", "before": 10710, "after": 1144, "all_columns_exact": true, "selections_aligned": true }, { "partition": "049-smol-property_prediction-esol.parquet", "before": 8880, "after": 888, "all_columns_exact": true, "selections_aligned": true }, { "partition": "050-smol-property_prediction-hiv.parquet", "before": 316890, "after": 32864, "all_columns_exact": true, "selections_aligned": true }, { "partition": "051-smol-property_prediction-lipo.parquet", "before": 33600, "after": 3360, "all_columns_exact": true, "selections_aligned": true }, { "partition": "052-smol-property_prediction-sider.parquet", "before": 164540, "after": 22820, "all_columns_exact": true, "selections_aligned": true }, { "partition": "053-tdc-ames.parquet", "before": 26250, "after": 4684, "all_columns_exact": true, "selections_aligned": true }, { "partition": "054-tdc-bioavailability_ma.parquet", "before": 3520, "after": 448, "all_columns_exact": true, "selections_aligned": true }, { "partition": "055-tdc-caco2_wang.parquet", "before": 6370, "after": 637, "all_columns_exact": true, "selections_aligned": true }, { "partition": "056-tdc-clearance_hepatocyte_az.parquet", "before": 8650, "after": 865, "all_columns_exact": true, "selections_aligned": true }, { "partition": "057-tdc-clearance_microsome_az.parquet", "before": 7700, "after": 770, "all_columns_exact": true, "selections_aligned": true }, { "partition": "058-tdc-cyp2c9_substrate_carbonmangels.parquet", "before": 3760, "after": 467, "all_columns_exact": true, "selections_aligned": true }, { "partition": "059-tdc-cyp2c9_veith.parquet", "before": 55940, "after": 8463, "all_columns_exact": true, "selections_aligned": true }, { "partition": "060-tdc-cyp2d6_substrate_carbonmangels.parquet", "before": 3310, "after": 465, "all_columns_exact": true, "selections_aligned": true }, { "partition": "061-tdc-cyp2d6_veith.parquet", "before": 73700, "after": 9191, "all_columns_exact": true, "selections_aligned": true }, { "partition": "062-tdc-cyp3a4_substrate_carbonmangels.parquet", "before": 2400, "after": 468, "all_columns_exact": true, "selections_aligned": true }, { "partition": "063-tdc-cyp3a4_veith.parquet", "before": 51810, "after": 8628, "all_columns_exact": true, "selections_aligned": true }, { "partition": "064-tdc-dili.parquet", "before": 1730, "after": 331, "all_columns_exact": true, "selections_aligned": true }, { "partition": "065-tdc-half_life_obach.parquet", "before": 4650, "after": 465, "all_columns_exact": true, "selections_aligned": true }, { "partition": "066-tdc-herg.parquet", "before": 3120, "after": 457, "all_columns_exact": true, "selections_aligned": true }, { "partition": "067-tdc-hia_hou.parquet", "before": 3620, "after": 403, "all_columns_exact": true, "selections_aligned": true }, { "partition": "068-tdc-ld50_zhu.parquet", "before": 39700, "after": 3970, "all_columns_exact": true, "selections_aligned": true }, { "partition": "069-tdc-pgp_broccatelli.parquet", "before": 4650, "after": 851, "all_columns_exact": true, "selections_aligned": true }, { "partition": "070-tdc-ppbr_az.parquet", "before": 19720, "after": 1972, "all_columns_exact": true, "selections_aligned": true }, { "partition": "071-tdc-vdss_lombardo.parquet", "before": 7910, "after": 791, "all_columns_exact": true, "selections_aligned": true } ], "public_loader": { "train_rows": 2818007, "test_rows": 152482, "repeat_indices": [ 0 ], "status": "passed" }, "independent_review": "passed: source-anchor coverage, occurrence-zero filter, all-column equality, selection alignment and partition checksums" }