gp = GaussianProcessRegressor() gp.fit(new_data[feature], new_data["pIC50"]) y_mean, y_cov = gp.predict(new_data[feature], return_cov=True)

gp = GaussianProcessRegressor() gp.fit(new_data[feature], new_data["pIC50"]) y_mean, y_cov = gp.predict(new_data[feature], return_cov=True)