GMoLprop
Contents:
GMoLprop: Graph machine learning based molecular property prediction
GMoLprop:
gmolprop
gmolprop.applicability_domain_methods
gmolprop.applicability_domain_methods.support_vector_machine
gmolprop.applicability_domain_methods.support_vector_machine.ocsvm
gmolprop.applicability_domain_methods.support_vector_machine.utils
gmolprop.data_processing
gmolprop.inference
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.applicability_domain_methods
gmolprop.applicability_domain_methods.support_vector_machine
gmolprop.applicability_domain_methods.support_vector_machine.utils
gmolprop.applicability_domain_methods.support_vector_machine.utils.plot_results_2D
gmolprop.applicability_domain_methods.support_vector_machine.utils.plot_results_2D
gmolprop.applicability_domain_methods.support_vector_machine.utils.
plot_results_2D
(
clf
,
X
,
y
,
y_pred
)
→
None