UKRmol+: A suite for modelling electronic processes in molecules interacting with electrons, positrons and photons using the R-matrix method.
Zdenek MasínJakub BendaJimena D. GorfinkielAlex G. HarveyJonathan TennysonPublished in: Comput. Phys. Commun. (2020)
Keyphrases
- high accuracy
- support vector machine svm
- preprocessing
- experimental evaluation
- similarity measure
- pairwise
- high precision
- significant improvement
- decomposition method
- neural network
- optimization method
- missing data
- computationally efficient
- classification accuracy
- cost function
- prior knowledge
- multiresolution
- feature vectors
- multiscale