| { | |
| "passed": true, | |
| "pcqm_rows": 500000, | |
| "pcqm_splits": { | |
| "train": 489511, | |
| "validation": 10403, | |
| "cross_objective_holdout": 69, | |
| "benchmark_overlap": 16, | |
| "identity_quarantine": 1 | |
| }, | |
| "cosmo_rows": 360259, | |
| "cosmo_splits": { | |
| "train": 352834, | |
| "validation": 7082, | |
| "new_holdout": 168, | |
| "cross_objective_holdout": 92, | |
| "benchmark_overlap": 83 | |
| }, | |
| "benchmark_test_solute_groups": 126, | |
| "no_pretraining_train_benchmark_overlap": true, | |
| "no_cross_objective_train_validation_group_overlap": true, | |
| "pcqm_composition_validated_all_rows": true, | |
| "pcqm_invalid_identity_rows": 1, | |
| "all_train_compositions_and_charges_validated": true, | |
| "geometry": "Original PCQM SDF coordinates and original COSMO PM6 coordinates; no regeneration", | |
| "initial_rem3di_checkpoint": null, | |
| "combisolv_training": false | |
| } |