cadd-synthetic / gasa Goto Github PK
View Code? Open in Web Editor NEWSynthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
License: GNU General Public License v2.0
Synthetic Accessible Prediction of Organic Compounds based on Graph Attention Mechanism
License: GNU General Public License v2.0
下载后发现找不到运行的文件,按照例子新建一个py文件后是可以正常预测。但是没有训练的文件,模型里明明是可训练的,所以挺疑惑的。
Hi, very good work but I have a question.
Could you tell me how the parameters of retro* are set when labeled the datasets, such as "iterations" and "expansion_topk" ?
Thanks!
Hi, what is the licence for GASA?
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