Derify/ReactionSmiles

Reaction SMILES Dataset A collated dataset of 3.4M unique chemical reaction SMILES strings compiled from multiple public sources for use in pre-training and fine-tuning chemical language models. Reaction SMILES (Simplified Molecular Input Line Entry System) extend the standard SMILES notation to represent complete chemical reactions. They encode reactants, reagents/catalysts, and products in a single text string using the > delimiter: reactants>reagents>products For example:… See the full description on the dataset page: https://huggingface.co/datasets/Derify/ReactionSmiles.