Physics & Astronomy
molecular excitation
learning
regression analysis
machine learning
ridges
molecular orbitals
molecules
predictions
tensors
spectroscopy
root-mean-square errors
self organizing systems
molecular properties
energy
amino acids
performance
matrices
molecular structure
functionals
chemistry
methodology
crystals
Engineering & Materials Science
Deep learning
Molecular electronics
Electronic properties
Spectroscopy
Molecules
Neural networks
Molecular orbitals
Tensors
Mean square error
Atoms
Multilayer neural networks
Machine learning
Electronic density of states
Screening
Learning algorithms
Network architecture
Throughput
Chemical Compounds
Molecular orbitals
Molecules
Spectroscopy
Deep learning
Tensors
Neural networks
Machine learning
Mean square error
Molecular structure
Dipeptides
Large dataset
Multilayer neural networks
Crystals
Electronic density of states
Amino Acids
Set theory
Atoms
Network architecture
