--- license: cc-by-4.0 tags: - chemistry - molecule-optimization configs: - config_name: ind data_files: - split: train path: ind/train.parquet - split: test path: ind/test.parquet - config_name: ood data_files: - split: train path: ood/train.parquet - split: test path: ood/test.parquet - config_name: all data_files: - split: train path: - ind/train.parquet - ood/train.parquet - split: test path: - ind/test.parquet - ood/test.parquet --- # MuMOInstruct, hub-native `NingLab/MuMOInstruct` (`f3ca492caaca6ecb33b1fcff65d882f10acc3297`), restricted to the paper's own IND/OOD evaluation split (the ten declared property combinations) and restructured into `ind`/`ood` subsets, with the unified columns `id`, `query`, `ground_truth`, `response`, `subtask` and `scoring_context` added beside every original one. `ground_truth` is the train split's own `target_smiles` and `response` its tagged form; both are blank for every test row, which upstream carries no target for -- the oracle scores the one candidate's property change against the source molecule, not a stored answer. See `scripts/datasets/README.md` in the AutoDataSci repository for what those columns mean. Row counts: {"train": 19841, "test": 7810}. ```json { "ind": { "train": 14804, "test": 5000 }, "ood": { "train": 5037, "test": 2810 } } ```