Deep convolutional neural network for molecular energy prediction

HIGHLIGHTS

• who: The et al. from the Department of Scientific Computing, Memorial University of Newfoundland, StJohn's, Canada have published the research work: Deep Convolutional Neural Network for Molecular Energy Prediction, in the Journal: (JOURNAL)
• what: This work investigates Deep Convolutional Neural Networks (CNN) to predict Hartree energy. The authors have used around 43000 structures to train and assess the performance of the CNN model in this regression task.
• how: After training the employed VGG model the results are shown in Table 3.
• future: There is still room to improve and as . . .
  

   

  

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