Dataset · Hugging Face

LG-AI-Research/MolDesignBench

Name: MolDesignBench
Creator: LG-AI-Research
License: cc-by-nc-4.0
Keywords: task_categories:text-generation, language:en, license:cc-by-nc-4.0, size_categories:1K<n<10K, format:json, modality:text, library:datasets, library:pandas, library:polars, library:mlcroissant, region:us, chemistry, molecular-design, drug-discovery, admet

Dataset Card for MolDesignBench This dataset is jointly released by LG AI Research and AGI Lab, Department of Artificial Intelligence, Korea University. The dataset is hosted under the Hugging Face organization of AGI Lab for administrative purposes. Both institutions contributed to the construction, validation, and release of the dataset. MolDesignBench is a benchmark for evaluating large language models on molecular design tasks. Each item poses a natural-language… See the full description on the dataset page: https://huggingface.co/datasets/LG-AI-Research/MolDesignBench.

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Author / organization	LG-AI-Research
License (as declared)	cc-by-nc-4.0
Downloads	140 (as reported by Hugging Face)
Likes	1
Created	13 May 2026
Last updated at source	11 June 2026

chemistrymolecular-designdrug-discoveryadmetsmilesllm-benchmark

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