Index

C

create_dataset() (in module preprocess) create_distancematrix() (in module preprocess) create_field() (in module preprocess)

create_orbitals() (in module preprocess) create_potential() (in module preprocess) create_sphere() (in module preprocess)

D

datasets module

M

module datasets preprocess wrappers

O

optimize() (wrappers.Trainer method)

P

preprocess module

Q

QDFDataset (class in datasets)

S

save_model() (wrappers.Tester method)

save_prediction() (wrappers.Tester method) save_result() (wrappers.Tester method)

T

test() (wrappers.Tester method) Tester (class in wrappers)

train() (wrappers.Trainer method) Trainer (class in wrappers)

W

wrappers module