zjujdj / ign Goto Github PK
View Code? Open in Web Editor NEWInteractionGraphNet: a Novel and Efficient Deep Graph Representation Learning Framework for Accurate Protein-Ligand Interaction Predictions
License: Apache License 2.0
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对训练部分文件的一些问题
感谢提供相关代码，请问训练部分PDB2016All_Splits_new_1.pkl和PDB2016ALL.csv分别是什么文件？感谢！
求二分类相关部分复现代码
非常感谢您提供DTI预测的代码，不知是否可以提供用DUD-E做训练集，用dekois做外部测试集相关部分的二分类代码或示例，以及使用dekois作为外部测试集时测试auc-prc指标的输入示例，非常感谢！
RuntimeError: CUDA error: no kernel image is available for execution on the device
非常感谢您分享关于DTI预测的代码。在复现测试的过程遇到问题RuntimeError: CUDA error: no kernel image is available for execution on the device。好像是cuda和pytorch版本不对应的报错
下面是我的运行环境配置：
cudatoolkit 10.2.89
dgl 0.4.3post2
dgl-cuda10.2 0.4.3post2
dgllife 0.2.6
python 3.7.11
pytorch 1.7.0
您提供的google网盘的dgl下载国内下载到一半总是报错。可否能提供百度网盘或其他下载方式？非常感谢
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