Benchmark study on deep neural network potentials for small organic molecules.

Rohit Modee Siddhartha Laghuvarapu U. Deva Priyakumar

Published in: J. Comput. Chem. (2022)

Keyphrases

neural network
quantitative evaluation
higher order
empirical studies
real world
small number
back propagation
comparative analysis
data sets
incremental learning
recurrent neural networks
high order
theoretical framework
probabilistic model
image segmentation
data mining
databases