little1d/

mol_edit_data

This dataset is used to train MolAct, an Agentic RL framework for molecular editing and optimization.

The dataset is derived from ChemCoTBench. We extracted the source molecules (SMILES) and task specifications (editing instructions or optimization objectives) while removing the intermediate Chain-of-Thought (CoT) reasoning steps to fit the Reinforcement Learning environment.

Stage 1 (Editing): Focuses on functional group addition… See the full description on the dataset page: https://huggingface.co/datasets/little1d/mol_edit_data.