Datasets:
| license: mit | |
| tags: | |
| - chemistry | |
| - molecular-editing | |
| - reasoning | |
| configs: | |
| - config_name: mol_edit | |
| data_files: | |
| - split: train | |
| path: mol_edit/train.parquet | |
| - split: test | |
| path: mol_edit/test.parquet | |
| - config_name: mol_opt | |
| data_files: | |
| - split: train | |
| path: mol_opt/train.parquet | |
| - split: test | |
| path: mol_opt/test.parquet | |
| - config_name: mol_und | |
| data_files: | |
| - split: train | |
| path: mol_und/train.parquet | |
| - split: test | |
| path: mol_und/test.parquet | |
| - config_name: reaction | |
| data_files: | |
| - split: train | |
| path: reaction/train.parquet | |
| - split: test | |
| path: reaction/test.parquet | |
| - config_name: all | |
| data_files: | |
| - split: train | |
| path: | |
| - mol_edit/train.parquet | |
| - mol_opt/train.parquet | |
| - mol_und/train.parquet | |
| - reaction/train.parquet | |
| - split: test | |
| path: | |
| - mol_edit/test.parquet | |
| - mol_opt/test.parquet | |
| - mol_und/test.parquet | |
| - reaction/test.parquet | |
| # ChemCoTBench, hub-native | |
| The deduplicated `mtybilly/ChemCoTBench` mirror (`7b17148acba5e5aee716de1fe3d0db1a0bdf48e5`), with the unified columns `ground_truth`, `response` and `scoring_context` added beside every original one. Six subtasks' train `query` is rendered in the full shape of that subtask's benchmark test prompts (`add`, `delete`, `sub`, `equivalence`, `fs`, `rcr`); every other subtask's train `query` keeps its own corpus wording with the benchmark's reply-format block appended. `fs`'s train `ground_truth` is the reaction's main product (from `meta.rxn_smiles`), not upstream `gt` (the byproduct, kept as the original column it is), because that subtask's train rows are now rendered in the main-product shape its test prompts ask for. See `scripts/datasets/README.md` in the AutoDataSci repository for what those columns mean. | |
| Row counts: test 1495, train 27494. | |
| ```json | |
| { | |
| "mol_edit": { | |
| "train": 4497, | |
| "test": 100 | |
| }, | |
| "mol_opt": { | |
| "train": 5025, | |
| "test": 600 | |
| }, | |
| "mol_und": { | |
| "train": 7690, | |
| "test": 320 | |
| }, | |
| "reaction": { | |
| "train": 10282, | |
| "test": 475 | |
| } | |
| } | |
| ``` | |