| license: cc-by-4.0 | |
| tags: | |
| - chemistry | |
| - molecular-qa | |
| configs: | |
| - config_name: property | |
| data_files: | |
| - split: train | |
| path: property/train.parquet | |
| - split: validation | |
| path: property/validation.parquet | |
| - split: test | |
| path: property/test.parquet | |
| - config_name: source | |
| data_files: | |
| - split: train | |
| path: source/train.parquet | |
| - split: validation | |
| path: source/validation.parquet | |
| - split: test | |
| path: source/test.parquet | |
| - config_name: structure | |
| data_files: | |
| - split: train | |
| path: structure/train.parquet | |
| - split: validation | |
| path: structure/validation.parquet | |
| - split: test | |
| path: structure/test.parquet | |
| - config_name: usage | |
| data_files: | |
| - split: train | |
| path: usage/train.parquet | |
| - split: validation | |
| path: usage/validation.parquet | |
| - split: test | |
| path: usage/test.parquet | |
| - config_name: all | |
| data_files: | |
| - split: train | |
| path: | |
| - property/train.parquet | |
| - source/train.parquet | |
| - structure/train.parquet | |
| - usage/train.parquet | |
| - split: validation | |
| path: | |
| - property/validation.parquet | |
| - source/validation.parquet | |
| - structure/validation.parquet | |
| - usage/validation.parquet | |
| - split: test | |
| path: | |
| - property/test.parquet | |
| - source/test.parquet | |
| - structure/test.parquet | |
| - usage/test.parquet | |
| # MoleculeQA, hub-native | |
| `IDEA-AI4S/MoleculeQA` (`cd1bcb922c9127b57e0944cdb605baccaa98ef9d`), restructured into one subset per category with the unified columns `ground_truth`, `response` and `scoring_context` added beside every original one. See `scripts/datasets/README.md` in the AutoDataSci repository for what those columns mean. | |
| Row counts: {"train": 49974, "validation": 5795, "test": 5786}. | |
| ```json | |
| { | |
| "property": { | |
| "train": 4826, | |
| "validation": 698, | |
| "test": 731 | |
| }, | |
| "source": { | |
| "train": 11061, | |
| "validation": 1225, | |
| "test": 1343 | |
| }, | |
| "structure": { | |
| "train": 32171, | |
| "validation": 3314, | |
| "test": 3113 | |
| }, | |
| "usage": { | |
| "train": 1916, | |
| "validation": 558, | |
| "test": 599 | |
| } | |
| } | |
| ``` | |