ChaseCheng/SAR-DRG

Dataset Card for SAR-DRG Dataset Details SAR-DRG is a scaffold-pocket dataset for realistic R-chain generation in lead optimization. It provides affinity-labeled R-chain samples organized by shared scaffold-pocket contexts, supporting SAR-informed molecular generation and evaluation. The dataset contains 96,158 samples across 29,387 scaffold-pocket groups. Dataset Architecture data_parquet/: Contains the processed Parquet files organized according… See the full description on the dataset page: https://huggingface.co/datasets/ChaseCheng/SAR-DRG.