Index

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.GlassNetMTMH attribute) (glasspy.predict.GlassNetMTMLP attribute) (glasspy.predict.GlassNetSTNN attribute) (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.GlassNetMTMH method) (glasspy.predict.GlassNetSTNN method) (glasspy.predict.models.GlassNetMTMH method) (glasspy.predict.models.GlassNetSTNN 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

H

hparams (glasspy.predict.GlassNetMTMH attribute) (glasspy.predict.GlassNetMTMLP attribute) (glasspy.predict.GlassNetSTNN attribute) (glasspy.predict.models.GlassNetMTMH attribute) (glasspy.predict.models.GlassNetMTMLP attribute) (glasspy.predict.models.GlassNetSTNN attribute) (glasspy.predict.models.ViscNet attribute) (glasspy.predict.ViscNet attribute)

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.Predict method) (glasspy.predict.GlassNet method) (glasspy.predict.models.GlassNet method)

prepare_data_per_node (glasspy.predict.GlassNetMTMH attribute) (glasspy.predict.GlassNetMTMLP attribute) (glasspy.predict.GlassNetSTNN attribute) (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

target_trans (glasspy.predict.GlassNetMTMH attribute) (glasspy.predict.GlassNetMTMLP attribute) (glasspy.predict.models.GlassNetMTMH attribute) (glasspy.predict.models.GlassNetMTMLP attribute) targets (glasspy.predict.GlassNetMTMH attribute) (glasspy.predict.GlassNetMTMLP attribute) (glasspy.predict.models.GlassNetMTMH attribute) (glasspy.predict.models.GlassNetMTMLP attribute) 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.GlassNetMTMH attribute) (glasspy.predict.GlassNetMTMLP attribute) (glasspy.predict.GlassNetSTNN attribute) (glasspy.predict.ViscNet attribute)

training_epoch_end() (glasspy.predict.base.AE method) training_file (glasspy.predict.GlassNetMTMH attribute) (glasspy.predict.GlassNetMTMLP attribute) (glasspy.predict.models.GlassNetMTMH attribute) (glasspy.predict.models.GlassNetMTMLP attribute) 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)