dataset for "Rapid Prediction of Liquid Structure from a Single Molecular Configuration Using Deep Learning"
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资源简介：
The data sets are used to train, validate, and test the PointNet-MD model for rapid prediction of radial distribution functions for different liquids. Details about this work can be found in the paper entitled Rapid Prediction of a Liquid Structure from a Single Molecular Configuration Using Deep Learning.
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Zenodo创建时间：
2023-03-28
