利用shap库对模型进行解析,这里使用的是预测集对一个已经训练好的模型(保存在dat文件里面)进行模型解析,可视化画图,例如决策树状图以及热力图。 - huangyiru123/Shap_explanation
In the present status, although DFT cannot easily provide a quantitative explanation of the experimental data, the relative reaction barrier is much more credible [47]. The basis information set will be specified after the description of the model of reactants. All PESs were explored by ...
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