task_categories:tabular-classification task_categories:tabular-regression task_ids:multi-class-classification task_ids:tabular-single-column-regression multilinguality:monolingual source_datasets:original language:en license:mit size_categories:n<1K format:parquet modality:text library:datasets library:dask library:polars library:mlcroissant arxiv:2506.10912 region:us chemistry toxicity molecular-design SMILES drug-discovery benchmark multimodal structure-activity-relationship