Mechanistic Exploration and Kinetic Modeling through In-Silico Data Generation and Probabilistic Machine Learning Analysis

This zip file includes the dataset 'two_reactions_022624.csv,' which is used for training and testing ML/DL models in the paper 'Mechanistic Exploration and Kinetic Modeling through In-Silico Data Generation and Probabilistic Machine Learning Analysis,' as well as trained models and some files used for training the model. When running the model downloaded from GitHub, copy and paste the files downloaded from here into the subfolder with the same name and path as the one downloaded from GitHub.本压缩包包含数据集文件'two_reactions_022624.csv'，该数据集用于论文《基于虚拟数据生成与概率机器学习分析的机制探索与动力学建模》中机器学习（Machine Learning, ML）与深度学习（Deep Learning, DL）模型的训练与测试；同时还包含已训练完成的模型以及若干模型训练所需的配套文件。在运行从GitHub下载的模型时，请将本压缩包内的文件复制粘贴至与GitHub下载文件同名同路径的子文件夹中。