Replication Data for: Geometric Transformers for Protein Interface Contact Prediction

This dataset contains replication data for the paper titled "Geometric Transformers for Protein Interface Contact Prediction". The dataset consists of pickled Python dictionaries containing pairs of DGLGraphs that can be used to train and validate protein interface contact prediction models. It also contains our best model checkpoints saved as PyTorch LightningModules. Our GitHub repository, DeepInteract, linked in the "Additional notes" metadata section below provides more details on how we use these files as examples for cross-validation.本数据集为论文《面向蛋白质界面接触预测的几何Transformer（Geometric Transformers for Protein Interface Contact Prediction）》的复现数据。该数据集包含经pickle序列化的Python字典，其中存储有DGL图（DGLGraph）对，可用于训练与验证蛋白质界面接触预测模型。此外，还包含以PyTorch Lightning模块（PyTorch LightningModule）格式保存的最优模型检查点。本数据集的"附加说明"元数据部分已链接至我们的GitHub仓库DeepInteract，其中详细阐释了我们如何将这些文件用作交叉验证的示例。