Index

A

ActiveLearning (class in ml4chem.active)

available_backends() (in module ml4chem.backends.available)

B

BackendOperations (class in ml4chem.backends.operations)

C

compute_mae() (in module ml4chem.metrics) compute_mse() (in module ml4chem.metrics)

compute_rmse() (in module ml4chem.metrics) cuda_is_available() (in module ml4chem.backends.available)

D

divide() (ml4chem.backends.operations.BackendOperations method)

dot() (ml4chem.backends.operations.BackendOperations method) dump() (in module ml4chem.data.serialization)

E

exp() (ml4chem.backends.operations.BackendOperations method)

F

fit() (ml4chem.data.preprocessing.Preprocessing method)

from_numpy() (ml4chem.backends.operations.BackendOperations method)

G

get_lr() (in module ml4chem.optim.handler)

get_lr_scheduler() (in module ml4chem.optim.handler) get_optimizer() (in module ml4chem.optim.handler)

L

load() (in module ml4chem.data.serialization)

log10() (ml4chem.backends.operations.BackendOperations method) logspace() (ml4chem.backends.operations.BackendOperations method)

M

ml4chem module ml4chem.active module ml4chem.backends module ml4chem.backends.available module ml4chem.backends.operations module ml4chem.data module ml4chem.data.preprocessing module ml4chem.data.serialization module ml4chem.metrics module

ml4chem.optim module ml4chem.optim.handler module module ml4chem ml4chem.active ml4chem.backends ml4chem.backends.available ml4chem.backends.operations ml4chem.data ml4chem.data.preprocessing ml4chem.data.serialization ml4chem.metrics ml4chem.optim ml4chem.optim.handler test

N

norm() (ml4chem.backends.operations.BackendOperations method)

P

Preprocessing (class in ml4chem.data.preprocessing)

R

run() (ml4chem.active.ActiveLearning method)

S

save_to_file() (ml4chem.data.preprocessing.Preprocessing method)

set() (ml4chem.data.preprocessing.Preprocessing method) sum() (ml4chem.backends.operations.BackendOperations method)

T

test module

to_numpy() (ml4chem.backends.operations.BackendOperations method) transform() (ml4chem.data.preprocessing.Preprocessing method)