RSE-Group11/Hugging-Ligand-embeddings

HuggingLigand数据集是一个用于预测蛋白质与配体之间结合亲和力的深度学习管道。该数据集提供了预先计算好的蛋白质和配体嵌入，这些嵌入可以用于机器学习模型的训练和测试，以预测结合亲和力值。数据集基于BindingDB，包含了蛋白质、配体及其亲和力信息。

HuggingLigand is a deep learning pipeline developed to predict the binding affinity between proteins and ligands. The dataset provides precomputed embeddings for proteins and ligands, which can be used for efficient training and testing of machine learning models for binding affinity prediction, based on the BindingDB containing information on proteins, ligands, and their affinities.