GlassPy
First steps
Installation guide
Examples
glasspy
GlassPy
Index
Index
A
|
C
|
D
|
E
|
F
|
G
|
I
|
L
|
M
|
O
|
P
|
R
|
S
|
T
|
V
|
W
|
X
A
absolute_features (glasspy.predict.models.ViscNet attribute)
(glasspy.predict.ViscNet attribute)
AE (class in glasspy.predict.base)
ag() (in module glasspy.viscosity.equilibrium)
(in module glasspy.viscosity.equilibrium_log)
allow_zero_length_dataloader_with_multiple_devices (glasspy.predict.ViscNet attribute)
am() (in module glasspy.viscosity.equilibrium)
(in module glasspy.viscosity.equilibrium_log)
am_alt() (in module glasspy.viscosity.equilibrium)
(in module glasspy.viscosity.equilibrium_log)
available_properties() (glasspy.data.load.SciGlass static method)
(glasspy.data.SciGlass static method)
available_properties_metadata() (glasspy.data.load.SciGlass static method)
(glasspy.data.SciGlass static method)
C
ChemArray (class in glasspy.chemistry)
(class in glasspy.chemistry.types)
compound (glasspy.predict.base.Domain attribute)
configure_optimizers() (glasspy.predict.base.AE method)
(glasspy.predict.base.MLP method)
D
data (glasspy.data.load.SciGlass attribute)
(glasspy.data.SciGlass attribute)
database_info() (glasspy.data.load.SciGlass static method)
(glasspy.data.SciGlass static method)
diff_coeff_eyring() (in module glasspy.viscosity.diffusion)
diff_coeff_stokeseinstein() (in module glasspy.viscosity.diffusion)
distance_from_training() (glasspy.predict.base.AE method)
(glasspy.predict.base.MLP method)
Domain (class in glasspy.predict.base)
domain (glasspy.predict.base.AE property)
(glasspy.predict.base.MLP property)
(glasspy.predict.base.Predict property)
E
element (glasspy.predict.base.Domain attribute)
elements_from_compounds() (glasspy.data.load.SciGlass method)
(glasspy.data.SciGlass method)
F
featurizer() (glasspy.predict.models.ViscNet method)
(glasspy.predict.ViscNet method)
forward() (glasspy.predict.base.AE method)
(glasspy.predict.base.MLP method)
forward_multihead() (glasspy.predict.base.MTL method)
G
get_compounds() (glasspy.data.load.SciGlass method)
(glasspy.data.SciGlass method)
get_elements() (glasspy.data.load.SciGlass method)
(glasspy.data.SciGlass method)
get_properties() (glasspy.data.load.SciGlass method)
(glasspy.data.SciGlass method)
get_test_dataset() (glasspy.predict.base.AE method)
(glasspy.predict.base.MLP method)
(glasspy.predict.base.Predict method)
get_training_dataset() (glasspy.predict.base.AE method)
(glasspy.predict.base.MLP method)
(glasspy.predict.base.Predict method)
get_validation_dataset() (glasspy.predict.base.AE method)
GlassNet (class in glasspy.predict)
(class in glasspy.predict.models)
GlassNetMTMH (class in glasspy.predict)
(class in glasspy.predict.models)
GlassNetMTMLP (class in glasspy.predict)
(class in glasspy.predict.models)
GlassNetSTNN (class in glasspy.predict)
(class in glasspy.predict.models)
glasspy
module
glasspy.chemistry
module
glasspy.chemistry.convert
module
glasspy.chemistry.data
module
glasspy.chemistry.featurizer
module
glasspy.chemistry.types
module
glasspy.data
module
glasspy.data.load
module
glasspy.data.translators
module
glasspy.predict
module
glasspy.predict.base
module
glasspy.predict.models
module
glasspy.support
module
glasspy.viscosity
module
glasspy.viscosity.diffusion
module
glasspy.viscosity.equilibrium
module
glasspy.viscosity.equilibrium_log
module
I
is_within_domain() (glasspy.predict.base.AE method)
(glasspy.predict.base.MLP method)
(glasspy.predict.base.Predict method)
L
learning_curve_train (glasspy.predict.base.AE attribute)
(glasspy.predict.base.MLP attribute)
learning_curve_val (glasspy.predict.base.AE attribute)
(glasspy.predict.base.MLP attribute)
load_training() (glasspy.predict.base.AE method)
(glasspy.predict.base.MLP method)
log_viscosity_fun() (glasspy.predict.models.ViscNet method)
(glasspy.predict.models.ViscNetVFT method)
(glasspy.predict.ViscNet method)
(glasspy.predict.ViscNetVFT method)
M
MAE() (glasspy.predict.base.Predict static method)
MedAE() (glasspy.predict.base.Predict static method)
MLP (class in glasspy.predict.base)
module
glasspy
glasspy.chemistry
glasspy.chemistry.convert
glasspy.chemistry.data
glasspy.chemistry.featurizer
glasspy.chemistry.types
glasspy.data
glasspy.data.load
glasspy.data.translators
glasspy.predict
glasspy.predict.base
glasspy.predict.models
glasspy.support
glasspy.viscosity
glasspy.viscosity.diffusion
glasspy.viscosity.equilibrium
glasspy.viscosity.equilibrium_log
mol_to_wt() (in module glasspy.chemistry)
(in module glasspy.chemistry.convert)
MSE() (glasspy.predict.base.Predict static method)
MTL (class in glasspy.predict.base)
myega() (in module glasspy.viscosity.equilibrium)
(in module glasspy.viscosity.equilibrium_log)
myega_alt() (in module glasspy.viscosity.equilibrium)
(in module glasspy.viscosity.equilibrium_log)
O
on_train_epoch_end() (glasspy.predict.base.MLP method)
on_validation_epoch_end() (glasspy.predict.base.MLP method)
P
parameters_range (glasspy.predict.models.ViscNet attribute)
(glasspy.predict.ViscNet attribute)
PercAE() (glasspy.predict.base.Predict static method)
physchem_featurizer() (in module glasspy.chemistry)
(in module glasspy.chemistry.featurizer)
Predict (class in glasspy.predict.base)
predict() (glasspy.predict.base.AE method)
(glasspy.predict.base.MLP method)
(glasspy.predict.base.Predict method)
(glasspy.predict.GlassNet method)
(glasspy.predict.models.GlassNet method)
prepare_data_per_node (glasspy.predict.ViscNet attribute)
R
R2() (glasspy.predict.base.Predict static method)
RD() (glasspy.predict.base.Predict static method)
remove_duplicate_composition() (glasspy.data.load.SciGlass method)
(glasspy.data.SciGlass method)
remove_zero_sum_columns() (glasspy.data.load.SciGlass method)
(glasspy.data.SciGlass method)
rescale_array() (in module glasspy.chemistry)
(in module glasspy.chemistry.convert)
RMSE() (glasspy.predict.base.Predict static method)
round_number_with_error() (in module glasspy.support)
round_to_closest_base() (in module glasspy.support)
round_to_significant_figure() (in module glasspy.support)
RRMSE() (glasspy.predict.base.Predict static method)
S
save_training() (glasspy.predict.base.AE method)
(glasspy.predict.base.MLP method)
SciGlass (class in glasspy.data)
(class in glasspy.data.load)
sciglass_dbinfo() (in module glasspy.data)
(in module glasspy.data.load)
state_dict_path (glasspy.predict.models.ViscNet attribute)
(glasspy.predict.ViscNet attribute)
T
test_step() (glasspy.predict.base.MLP method)
(glasspy.predict.base.MTL method)
(glasspy.predict.GlassNetSTNN method)
(glasspy.predict.models.GlassNetSTNN method)
to_array() (in module glasspy.chemistry)
(in module glasspy.chemistry.convert)
to_element_array() (in module glasspy.chemistry)
(in module glasspy.chemistry.convert)
training (glasspy.predict.ViscNet attribute)
training_epoch_end() (glasspy.predict.base.AE method)
training_step() (glasspy.predict.base.AE method)
(glasspy.predict.base.MLP method)
(glasspy.predict.base.MTL method)
(glasspy.predict.GlassNetSTNN method)
(glasspy.predict.models.GlassNetSTNN method)
V
validation_epoch_end() (glasspy.predict.base.AE method)
validation_step() (glasspy.predict.base.AE method)
(glasspy.predict.base.MLP method)
(glasspy.predict.base.MTL method)
(glasspy.predict.GlassNetSTNN method)
(glasspy.predict.models.GlassNetSTNN method)
vft() (in module glasspy.viscosity.equilibrium)
(in module glasspy.viscosity.equilibrium_log)
vft_alt() (in module glasspy.viscosity.equilibrium)
(in module glasspy.viscosity.equilibrium_log)
ViscNet (class in glasspy.predict)
(class in glasspy.predict.models)
ViscNetHuber (class in glasspy.predict)
(class in glasspy.predict.models)
ViscNetVFT (class in glasspy.predict)
(class in glasspy.predict.models)
W
weighted_features (glasspy.predict.models.ViscNet attribute)
(glasspy.predict.ViscNet attribute)
wt_to_mol() (in module glasspy.chemistry)
(in module glasspy.chemistry.convert)
X
x_mean (glasspy.predict.models.ViscNet attribute)
(glasspy.predict.ViscNet attribute)
x_std (glasspy.predict.models.ViscNet attribute)
(glasspy.predict.ViscNet attribute)