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3D Convolutional Neural Network for Predicting Free Energies of Partitioning
3D Convolutional Neural Network for Predicting Free Energies of Partitioning
2020
Stewart He
Helgi I. Ingólfsson
Delin Sun
W. F. Drew Bennett
Jonathan E. Allen
Felice C. Lightstone
Camille L. Bilodeau
Keywords:
Convolutional neural network
Crystallography
Artificial intelligence
Pattern recognition
Biology
Biological system
free energies
Correction
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