| { |
| "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, |
| "selections_aligned": true |
| }, |
| { |
| "partition": "004-qm9_homo_lumo_gap.parquet", |
| "before": 599700, |
| "after": 119940, |
| "all_columns_exact": true, |
| "selections_aligned": true |
| }, |
| { |
| "partition": "005-qm9_lumo.parquet", |
| "before": 588540, |
| "after": 117708, |
| "all_columns_exact": true, |
| "selections_aligned": true |
| }, |
| { |
| "partition": "006-reagent_prediction.parquet", |
| "before": 121896, |
| "after": 121896, |
| "all_columns_exact": true, |
| "selections_aligned": true |
| }, |
| { |
| "partition": "007-retrosynthesis.parquet", |
| "before": 28152, |
| "after": 28152, |
| "all_columns_exact": true, |
| "selections_aligned": true |
| }, |
| { |
| "partition": "008-smol-forward_synthesis.parquet", |
| "before": 971678, |
| "after": 971678, |
| "all_columns_exact": true, |
| "selections_aligned": true |
| }, |
| { |
| "partition": "009-smol-molecule_captioning.parquet", |
| "before": 53754, |
| "after": 53754, |
| "all_columns_exact": true, |
| "selections_aligned": true |
| }, |
| { |
| "partition": "010-smol-molecule_generation.parquet", |
| "before": 53754, |
| "after": 53754, |
| "all_columns_exact": true, |
| "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": 19000, |
| "after": 1900, |
| "all_columns_exact": true, |
| "selections_aligned": true |
| }, |
| { |
| "partition": "032-moleculeace-CHEMBL237_EC50.parquet", |
| "before": 7340, |
| "after": 734, |
| "all_columns_exact": true, |
| "selections_aligned": true |
| }, |
| { |
| "partition": "033-moleculeace-CHEMBL237_Ki.parquet", |
| "before": 19350, |
| "after": 1935, |
| "all_columns_exact": true, |
| "selections_aligned": true |
| }, |
| { |
| "partition": "034-moleculeace-CHEMBL238_Ki.parquet", |
| "before": 6680, |
| "after": 668, |
| "all_columns_exact": true, |
| "selections_aligned": true |
| }, |
| { |
| "partition": "035-moleculeace-CHEMBL239_EC50.parquet", |
| "before": 11700, |
| "after": 1170, |
| "all_columns_exact": true, |
| "selections_aligned": true |
| }, |
| { |
| "partition": "036-moleculeace-CHEMBL244_Ki.parquet", |
| "before": 21850, |
| "after": 2185, |
| "all_columns_exact": true, |
| "selections_aligned": true |
| }, |
| { |
| "partition": "037-moleculeace-CHEMBL262_Ki.parquet", |
| "before": 6520, |
| "after": 652, |
| "all_columns_exact": true, |
| "selections_aligned": true |
| }, |
| { |
| "partition": "038-moleculeace-CHEMBL264_Ki.parquet", |
| "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" |
| } |
|
|
