GMoLprop
Contents:
GMoLprop: Graph machine learning based molecular property prediction
GMoLprop:
gmolprop
gmolprop.applicability_domain_methods
gmolprop.data_processing
gmolprop.inference
gmolprop.inference.eval
gmolprop.inference.eval_datamodule
gmolprop.inference.infer
gmolprop.inference.infer_ensemble
infer_ensemble()
gmolprop.info
gmolprop.models
gmolprop.powertoys
gmolprop.predict
gmolprop.pyg_molgraph
gmolprop.train_ensemble_model
gmolprop.train_single_model
gmolprop.training
gmolprop.training_type
gmolprop.utils
GMoLprop
gmolprop
gmolprop.inference
gmolprop.inference.infer_ensemble
gmolprop.inference.infer_ensemble
gmolprop.inference.
infer_ensemble
(
model_list
,
cfg
,
dataloader
=
None
,
dataloader_list
=
None
)