Introduction

This README file contains information about the NNF3-data-set.zip file and frozen_model.pb file. The NNF3-data-set.zip file contains a .xyz file that contains all the training data required for the neural network model. The frozen_model.pb file is a trained model file that can be opened and used for prediction purposes.

File Contents

The NNF3-data-set.zip file contains a single .xyz file that contains all the training data for the neural network model. The frozen_model.pb file is a trained model file that can be used for prediction purposes.

Instructions for Use

To use the NNF3-data-set.zip file, please extract the contents of the file to a directory of your choice. The extracted file is a .xyz file that can be used as training data for the neural network model.

To use the frozen_model.pb file, you will need to download the open-source DeepMD-kit code from the following website: https://github.com/deepmodeling/deepmd-kit. Once you have downloaded the code, you can open the frozen_model.pb file using the code and use it for prediction purposes.