MolLangData provides large-scale paired data of molecular structures and language descriptions generated by a rule-regularized method. For the codes to generate this dataset and how to use it, please refer to our anonymous repository.

Dataset Structure

This dataset contains two configs:

validated_data

All validated data (2k), including both true… See the full description on the dataset page: https://huggingface.co/datasets/mollangdata/MolLangData.