Loading deepchem/dock/docking.py +1 −1 Original line number Diff line number Diff line Loading @@ -100,7 +100,7 @@ class Docker(object): Returns ------- Generator[(`posed_complex, score`)] or Generator[`posed_complex`] Generator[Tuple[`posed_complex`, `score`]] or Generator[`posed_complex`] A generator. If `use_pose_generator_scores==True` or `self.scoring_model` is set, then will yield tuples `(posed_complex, score)`. Else will yield `posed_complex`. Loading deepchem/dock/pose_generation.py +2 −2 Original line number Diff line number Diff line Loading @@ -193,7 +193,7 @@ class VinaPoseGenerator(PoseGenerator): Returns ------- `(docked_poses, scores)` or `docked_poses` Tuple[`docked_poses`, `scores`] or `docked_poses` Tuple of `(docked_poses, scores)` or `docked_poses`. `docked_poses` is a list of docked molecular complexes. Each entry in this list contains a `(protein_mol, ligand_mol)` pair of RDKit molecules. Loading deepchem/hyper/base_classes.py +2 −2 Original line number Diff line number Diff line Loading @@ -113,9 +113,9 @@ class HyperparamOpt(object): Returns ------- Tuple[best_model, best_hyperparams, all_scores] Tuple[`best_model`, `best_hyperparams`, `all_scores`] `(best_model, best_hyperparams, all_scores)` where `best_model` is an instance of `dc.models.Models`, `best_hyperparams` is a an instance of `dc.models.Model`, `best_hyperparams` is a dictionary of parameters, and `all_scores` is a dictionary mapping string representations of hyperparameter sets to validation scores. Loading deepchem/hyper/gaussian_process.py +1 −1 Original line number Diff line number Diff line Loading @@ -190,7 +190,7 @@ class GaussianProcessHyperparamOpt(HyperparamOpt): Returns ------- Tuple[best_model, best_hyperparams, all_scores] Tuple[`best_model`, `best_hyperparams`, `all_scores`] `(best_model, best_hyperparams, all_scores)` where `best_model` is an instance of `dc.model.Model`, `best_hyperparams` is a dictionary of parameters, and `all_scores` is a dictionary mapping Loading deepchem/hyper/grid_search.py +1 −1 Original line number Diff line number Diff line Loading @@ -102,7 +102,7 @@ class GridHyperparamOpt(HyperparamOpt): Returns ------- Tuple[best_model, best_hyperparams, all_scores] Tuple[`best_model`, `best_hyperparams`, `all_scores`] `(best_model, best_hyperparams, all_scores)` where `best_model` is an instance of `dc.model.Model`, `best_hyperparams` is a dictionary of parameters, and `all_scores` is a dictionary mapping Loading Loading
deepchem/dock/docking.py +1 −1 Original line number Diff line number Diff line Loading @@ -100,7 +100,7 @@ class Docker(object): Returns ------- Generator[(`posed_complex, score`)] or Generator[`posed_complex`] Generator[Tuple[`posed_complex`, `score`]] or Generator[`posed_complex`] A generator. If `use_pose_generator_scores==True` or `self.scoring_model` is set, then will yield tuples `(posed_complex, score)`. Else will yield `posed_complex`. Loading
deepchem/dock/pose_generation.py +2 −2 Original line number Diff line number Diff line Loading @@ -193,7 +193,7 @@ class VinaPoseGenerator(PoseGenerator): Returns ------- `(docked_poses, scores)` or `docked_poses` Tuple[`docked_poses`, `scores`] or `docked_poses` Tuple of `(docked_poses, scores)` or `docked_poses`. `docked_poses` is a list of docked molecular complexes. Each entry in this list contains a `(protein_mol, ligand_mol)` pair of RDKit molecules. Loading
deepchem/hyper/base_classes.py +2 −2 Original line number Diff line number Diff line Loading @@ -113,9 +113,9 @@ class HyperparamOpt(object): Returns ------- Tuple[best_model, best_hyperparams, all_scores] Tuple[`best_model`, `best_hyperparams`, `all_scores`] `(best_model, best_hyperparams, all_scores)` where `best_model` is an instance of `dc.models.Models`, `best_hyperparams` is a an instance of `dc.models.Model`, `best_hyperparams` is a dictionary of parameters, and `all_scores` is a dictionary mapping string representations of hyperparameter sets to validation scores. Loading
deepchem/hyper/gaussian_process.py +1 −1 Original line number Diff line number Diff line Loading @@ -190,7 +190,7 @@ class GaussianProcessHyperparamOpt(HyperparamOpt): Returns ------- Tuple[best_model, best_hyperparams, all_scores] Tuple[`best_model`, `best_hyperparams`, `all_scores`] `(best_model, best_hyperparams, all_scores)` where `best_model` is an instance of `dc.model.Model`, `best_hyperparams` is a dictionary of parameters, and `all_scores` is a dictionary mapping Loading
deepchem/hyper/grid_search.py +1 −1 Original line number Diff line number Diff line Loading @@ -102,7 +102,7 @@ class GridHyperparamOpt(HyperparamOpt): Returns ------- Tuple[best_model, best_hyperparams, all_scores] Tuple[`best_model`, `best_hyperparams`, `all_scores`] `(best_model, best_hyperparams, all_scores)` where `best_model` is an instance of `dc.model.Model`, `best_hyperparams` is a dictionary of parameters, and `all_scores` is a dictionary mapping Loading
