best_hyper_parameters.json

{"volsurf-AlphaLISA": {"learning_rate": 0.2, "n_estimators": 200, "random_state": 42}, "tpatf-3CL": {"criterion": "gini", "max_features": "auto", "n_estimators": 200, "n_jobs": -1, "random_state": 42}, "tpatf-hCYTOX": {"criterion": "gini", "max_features": "auto", "n_estimators": 100, "n_jobs": -1, "random_state": 42}, "lecfp4-MERS-PPE": {"hidden_layer_sizes": [100], "max_iter": 300, "random_state": 42, "verbose": 2}, "tpatf-CPE": {"estimator__C": 1.0, "estimator__n_jobs": -1, "estimator__penalty": "l2", "estimator__random_state": 42, "estimator__solver": "lbfgs", "estimator__verbose": 2}, "fcfp4-TruHit": {"max_features": 1.0, "max_samples": 1.0, "n_estimators": 10, "random_state": 42}, "volsurf-ACE2": {"estimator__C": 1.0, "estimator__n_jobs": -1, "estimator__penalty": "l2", "estimator__random_state": 42, "estimator__solver": "liblinear", "estimator__verbose": 2}, "lfcfp4-CPE": {"alpha": 3.0}, "tpatf-MERS-PPE_cs": {"C": 0.1, "coef0": 0.0, "decision_function_shape": "ovr", "degree": 4, "gamma": 0.0001, "kernel": "poly", "max_iter": 500, "probability": true, "random_state": 42, "shrinking": true, "tol": 0.0001, "verbose": 2}, "tpatf-CoV1-PPE_cs": {"learning_rate": 0.1, "n_estimators": 200, "random_state": 42}, "rdkDes-MERS-PPE": {"learning_rate": 0.1, "n_estimators": 250, "random_state": 42}, "rdkDes-CoV1-PPE": {"alpha": 3.0}, "rdkDes-CPE": {"criterion": "gini", "max_features": "auto", "n_estimators": 100, "random_state": 42}, "rdkDes-ACE2": {"learning_rate": 0.3, "n_estimators": 100, "random_state": 42}, "volsurf-hCYTOX": {"learning_rate": 0.01, "n_estimators": 300, "random_state": 42}, "hashtt-3CL": {"C": 1, "coef0": 0.0, "decision_function_shape": "ovr", "degree": 2, "gamma": 0.01, "kernel": "rbf", "max_iter": 500, "probability": true, "random_state": 42, "shrinking": true, "tol": 0.0001, "verbose": 2}, "rdkDes-TruHit": {"criterion": "gini", "max_features": "auto", "n_estimators": 100, "random_state": 42}, "tpatf-CoV1-PPE": {"learning_rate": 0.1, "n_estimators": 50, "random_state": 42}, "rdkDes-3CL": {"learning_rate": 0.1, "n_estimators": 100, "random_state": 42}, "tpatf-MERS-PPE": {"criterion": "gini", "max_features": "log2", "n_estimators": 100, "random_state": 42}, "volsurf-TruHit": {"algorithm": "ball_tree", "leaf_size": 50, "n_neighbors": 5, "weights": "distance"}, "rdkDes-hCYTOX": {"criterion": "gini", "max_features": "auto", "n_estimators": 200, "n_jobs": -1, "random_state": 42}, "rdk7-MERS-PPE_cs": {"alpha": 3.0}, "rdkDes-MERS-PPE_cs": {"algorithm": "SAMME.R", "base_estimator": null, "learning_rate": 1, "n_estimators": 50, "random_state": 42}, "hashap-AlphaLISA": {"C": 1, "coef0": 0.0, "decision_function_shape": "ovr", "degree": 0, "gamma": 0.01, "kernel": "rbf", "max_iter": 500, "probability": true, "random_state": 42, "shrinking": true, "tol": 0.0001, "verbose": 2}, "lecfp6-hCYTOX": {"learning_rate": 0.3, "n_estimators": 150, "random_state": 42}, "volsurf-MERS-PPE_cs": {"hidden_layer_sizes": [100], "max_iter": 100, "random_state": 42, "verbose": 2}, "fcfp2-ACE2": {"criterion": "gini", "max_features": "auto", "n_estimators": 700, "n_jobs": -1, "random_state": 42}, "tpatf-AlphaLISA": {"learning_rate": 0.3, "n_estimators": 200, "random_state": 42}, "laval-CoV1-PPE": {"learning_rate": 0.01, "n_estimators": 800, "random_state": 42}, "tpatf-ACE2": {"criterion": "gini", "max_features": "log2", "n_estimators": 400, "n_jobs": -1, "random_state": 42}, "laval-cytotox": {"criterion": "gini", "max_features": "auto", "n_estimators": 500, "n_jobs": -1, "random_state": 42}, "volsurf-3CL": {"criterion": "gini", "max_features": "auto", "n_estimators": 200, "n_jobs": -1, "random_state": 42}, "ecfp4-CoV1-PPE_cs": {"criterion": "gini", "max_features": "auto", "n_estimators": 600, "n_jobs": -1, "random_state": 42}, "volsurf-CoV1-PPE": {"estimator__C": 1.0, "estimator__n_jobs": -1, "estimator__penalty": "l1", "estimator__random_state": 42, "estimator__solver": "lbfgs", "estimator__verbose": 2}, "volsurf-MERS-PPE": {"criterion": "gini", "max_features": "sqrt", "n_estimators": 500, "random_state": 42}, "volsurf-CPE": {"estimator__C": 1.0, "estimator__n_jobs": -1, "estimator__penalty": "l2", "estimator__random_state": 42, "estimator__solver": "liblinear", "estimator__verbose": 2}, "volsurf-CoV1-PPE_cs": {"hidden_layer_sizes": [100], "max_iter": 200, "random_state": 42, "verbose": 2}, "rdkDes-cytotox": {"hidden_layer_sizes": [100], "max_iter": 300, "random_state": 42, "verbose": 2}, "rdkDes-CoV1-PPE_cs": {"learning_rate": 0.01, "n_estimators": 800, "random_state": 42}, "tpatf-cytotox": {"criterion": "entropy", "max_features": "sqrt", "n_estimators": 100, "random_state": 42}, "volsurf-cytotox": {"hidden_layer_sizes": [100, 64], "max_iter": 200, "random_state": 42, "verbose": 2}, "tpatf-TruHit": {"criterion": "gini", "max_features": "auto", "n_estimators": 100, "random_state": 42}, "rdkDes-AlphaLISA": {"learning_rate": 0.1, "n_estimators": 750, "random_state": 42}}