qsprpred.extra.gpu package
Subpackages
- qsprpred.extra.gpu.models package
- Submodules
- qsprpred.extra.gpu.models.base module
QSPRModelGPU
QSPRModelGPU.checkData()
QSPRModelGPU.classPath
QSPRModelGPU.cleanFiles()
QSPRModelGPU.convertToNumpy()
QSPRModelGPU.createPredictionDatasetFromMols()
QSPRModelGPU.fit()
QSPRModelGPU.fitDataset()
QSPRModelGPU.fromFile()
QSPRModelGPU.fromJSON()
QSPRModelGPU.getGPUs()
QSPRModelGPU.getParameters()
QSPRModelGPU.handleInvalidsInPredictions()
QSPRModelGPU.initFromDataset()
QSPRModelGPU.initRandomState()
QSPRModelGPU.isMultiTask
QSPRModelGPU.loadEstimator()
QSPRModelGPU.loadEstimatorFromFile()
QSPRModelGPU.loadParamsGrid()
QSPRModelGPU.metaFile
QSPRModelGPU.optimalEpochs
QSPRModelGPU.outDir
QSPRModelGPU.outPrefix
QSPRModelGPU.predict()
QSPRModelGPU.predictDataset()
QSPRModelGPU.predictMols()
QSPRModelGPU.predictProba()
QSPRModelGPU.save()
QSPRModelGPU.saveEstimator()
QSPRModelGPU.setGPUs()
QSPRModelGPU.setParams()
QSPRModelGPU.supportsEarlyStopping
QSPRModelGPU.task
QSPRModelGPU.toFile()
QSPRModelGPU.toJSON()
- qsprpred.extra.gpu.models.base_torch module
QSPRModelPyTorchGPU
QSPRModelPyTorchGPU.checkData()
QSPRModelPyTorchGPU.classPath
QSPRModelPyTorchGPU.cleanFiles()
QSPRModelPyTorchGPU.convertToNumpy()
QSPRModelPyTorchGPU.createPredictionDatasetFromMols()
QSPRModelPyTorchGPU.fit()
QSPRModelPyTorchGPU.fitDataset()
QSPRModelPyTorchGPU.fromFile()
QSPRModelPyTorchGPU.fromJSON()
QSPRModelPyTorchGPU.getDevice()
QSPRModelPyTorchGPU.getGPUs()
QSPRModelPyTorchGPU.getParameters()
QSPRModelPyTorchGPU.handleInvalidsInPredictions()
QSPRModelPyTorchGPU.initFromDataset()
QSPRModelPyTorchGPU.initRandomState()
QSPRModelPyTorchGPU.isMultiTask
QSPRModelPyTorchGPU.loadEstimator()
QSPRModelPyTorchGPU.loadEstimatorFromFile()
QSPRModelPyTorchGPU.loadParamsGrid()
QSPRModelPyTorchGPU.metaFile
QSPRModelPyTorchGPU.optimalEpochs
QSPRModelPyTorchGPU.outDir
QSPRModelPyTorchGPU.outPrefix
QSPRModelPyTorchGPU.predict()
QSPRModelPyTorchGPU.predictDataset()
QSPRModelPyTorchGPU.predictMols()
QSPRModelPyTorchGPU.predictProba()
QSPRModelPyTorchGPU.save()
QSPRModelPyTorchGPU.saveEstimator()
QSPRModelPyTorchGPU.setDevice()
QSPRModelPyTorchGPU.setGPUs()
QSPRModelPyTorchGPU.setParams()
QSPRModelPyTorchGPU.supportsEarlyStopping
QSPRModelPyTorchGPU.task
QSPRModelPyTorchGPU.toFile()
QSPRModelPyTorchGPU.toJSON()
- qsprpred.extra.gpu.models.chemprop module
ChempropModel
ChempropModel.checkArgs()
ChempropModel.checkData()
ChempropModel.classPath
ChempropModel.cleanFiles()
ChempropModel.convertToMoleculeDataset()
ChempropModel.convertToNumpy()
ChempropModel.createPredictionDatasetFromMols()
ChempropModel.fit()
ChempropModel.fitDataset()
ChempropModel.fromFile()
ChempropModel.fromJSON()
ChempropModel.getAvailableParameters()
ChempropModel.getDevice()
ChempropModel.getGPUs()
ChempropModel.getParameters()
ChempropModel.handleInvalidsInPredictions()
ChempropModel.initFromDataset()
ChempropModel.initRandomState()
ChempropModel.isMultiTask
ChempropModel.loadEstimator()
ChempropModel.loadEstimatorFromFile()
ChempropModel.loadParamsGrid()
ChempropModel.metaFile
ChempropModel.optimalEpochs
ChempropModel.outDir
ChempropModel.outPrefix
ChempropModel.predict()
ChempropModel.predictDataset()
ChempropModel.predictMols()
ChempropModel.predictProba()
ChempropModel.save()
ChempropModel.saveEstimator()
ChempropModel.setDevice()
ChempropModel.setGPUs()
ChempropModel.setParams()
ChempropModel.supportsEarlyStopping()
ChempropModel.task
ChempropModel.toFile()
ChempropModel.toJSON()
ChempropMoleculeModel
ChempropMoleculeModel.T_destination
ChempropMoleculeModel.add_module()
ChempropMoleculeModel.apply()
ChempropMoleculeModel.bfloat16()
ChempropMoleculeModel.buffers()
ChempropMoleculeModel.call_super_init
ChempropMoleculeModel.cast()
ChempropMoleculeModel.children()
ChempropMoleculeModel.compile()
ChempropMoleculeModel.cpu()
ChempropMoleculeModel.create_encoder()
ChempropMoleculeModel.create_ffn()
ChempropMoleculeModel.cuda()
ChempropMoleculeModel.double()
ChempropMoleculeModel.dump_patches
ChempropMoleculeModel.eval()
ChempropMoleculeModel.extra_repr()
ChempropMoleculeModel.fingerprint()
ChempropMoleculeModel.float()
ChempropMoleculeModel.forward()
ChempropMoleculeModel.getTrainArgs()
ChempropMoleculeModel.get_buffer()
ChempropMoleculeModel.get_extra_state()
ChempropMoleculeModel.get_parameter()
ChempropMoleculeModel.get_submodule()
ChempropMoleculeModel.half()
ChempropMoleculeModel.ipu()
ChempropMoleculeModel.load_state_dict()
ChempropMoleculeModel.modules()
ChempropMoleculeModel.named_buffers()
ChempropMoleculeModel.named_children()
ChempropMoleculeModel.named_modules()
ChempropMoleculeModel.named_parameters()
ChempropMoleculeModel.parameters()
ChempropMoleculeModel.register_backward_hook()
ChempropMoleculeModel.register_buffer()
ChempropMoleculeModel.register_forward_hook()
ChempropMoleculeModel.register_forward_pre_hook()
ChempropMoleculeModel.register_full_backward_hook()
ChempropMoleculeModel.register_full_backward_pre_hook()
ChempropMoleculeModel.register_load_state_dict_post_hook()
ChempropMoleculeModel.register_module()
ChempropMoleculeModel.register_parameter()
ChempropMoleculeModel.register_state_dict_pre_hook()
ChempropMoleculeModel.requires_grad_()
ChempropMoleculeModel.set_extra_state()
ChempropMoleculeModel.share_memory()
ChempropMoleculeModel.state_dict()
ChempropMoleculeModel.to()
ChempropMoleculeModel.to_empty()
ChempropMoleculeModel.train()
ChempropMoleculeModel.training
ChempropMoleculeModel.type()
ChempropMoleculeModel.xpu()
ChempropMoleculeModel.zero_grad()
- qsprpred.extra.gpu.models.dnn module
DNNModel
DNNModel.checkData()
DNNModel.classPath
DNNModel.cleanFiles()
DNNModel.convertToNumpy()
DNNModel.createPredictionDatasetFromMols()
DNNModel.fit()
DNNModel.fitDataset()
DNNModel.fromFile()
DNNModel.fromJSON()
DNNModel.getDevice()
DNNModel.getGPUs()
DNNModel.getParameters()
DNNModel.handleInvalidsInPredictions()
DNNModel.initFromDataset()
DNNModel.initRandomState()
DNNModel.isMultiTask
DNNModel.loadEstimator()
DNNModel.loadEstimatorFromFile()
DNNModel.loadParamsGrid()
DNNModel.metaFile
DNNModel.optimalEpochs
DNNModel.outDir
DNNModel.outPrefix
DNNModel.predict()
DNNModel.predictDataset()
DNNModel.predictMols()
DNNModel.predictProba()
DNNModel.save()
DNNModel.saveEstimator()
DNNModel.setDevice()
DNNModel.setGPUs()
DNNModel.setParams()
DNNModel.supportsEarlyStopping
DNNModel.task
DNNModel.toFile()
DNNModel.toJSON()
- qsprpred.extra.gpu.models.neural_network module
Base
Base.T_destination
Base.add_module()
Base.apply()
Base.bfloat16()
Base.buffers()
Base.call_super_init
Base.children()
Base.compile()
Base.cpu()
Base.cuda()
Base.double()
Base.dump_patches
Base.eval()
Base.evaluate()
Base.extra_repr()
Base.fit()
Base.float()
Base.forward()
Base.getDataLoader()
Base.get_buffer()
Base.get_extra_state()
Base.get_parameter()
Base.get_params()
Base.get_submodule()
Base.half()
Base.ipu()
Base.load_state_dict()
Base.modules()
Base.named_buffers()
Base.named_children()
Base.named_modules()
Base.named_parameters()
Base.parameters()
Base.predict()
Base.register_backward_hook()
Base.register_buffer()
Base.register_forward_hook()
Base.register_forward_pre_hook()
Base.register_full_backward_hook()
Base.register_full_backward_pre_hook()
Base.register_load_state_dict_post_hook()
Base.register_module()
Base.register_parameter()
Base.register_state_dict_pre_hook()
Base.requires_grad_()
Base.set_extra_state()
Base.set_params()
Base.share_memory()
Base.state_dict()
Base.to()
Base.to_empty()
Base.train()
Base.training
Base.type()
Base.xpu()
Base.zero_grad()
STFullyConnected
STFullyConnected.T_destination
STFullyConnected.add_module()
STFullyConnected.apply()
STFullyConnected.bfloat16()
STFullyConnected.buffers()
STFullyConnected.call_super_init
STFullyConnected.children()
STFullyConnected.compile()
STFullyConnected.cpu()
STFullyConnected.cuda()
STFullyConnected.double()
STFullyConnected.dump_patches
STFullyConnected.eval()
STFullyConnected.evaluate()
STFullyConnected.extra_repr()
STFullyConnected.fit()
STFullyConnected.float()
STFullyConnected.forward()
STFullyConnected.getDataLoader()
STFullyConnected.get_buffer()
STFullyConnected.get_extra_state()
STFullyConnected.get_parameter()
STFullyConnected.get_params()
STFullyConnected.get_submodule()
STFullyConnected.half()
STFullyConnected.initModel()
STFullyConnected.ipu()
STFullyConnected.load_state_dict()
STFullyConnected.modules()
STFullyConnected.named_buffers()
STFullyConnected.named_children()
STFullyConnected.named_modules()
STFullyConnected.named_parameters()
STFullyConnected.parameters()
STFullyConnected.predict()
STFullyConnected.register_backward_hook()
STFullyConnected.register_buffer()
STFullyConnected.register_forward_hook()
STFullyConnected.register_forward_pre_hook()
STFullyConnected.register_full_backward_hook()
STFullyConnected.register_full_backward_pre_hook()
STFullyConnected.register_load_state_dict_post_hook()
STFullyConnected.register_module()
STFullyConnected.register_parameter()
STFullyConnected.register_state_dict_pre_hook()
STFullyConnected.requires_grad_()
STFullyConnected.set_extra_state()
STFullyConnected.set_params()
STFullyConnected.share_memory()
STFullyConnected.state_dict()
STFullyConnected.to()
STFullyConnected.to_empty()
STFullyConnected.train()
STFullyConnected.training
STFullyConnected.type()
STFullyConnected.xpu()
STFullyConnected.zero_grad()
- qsprpred.extra.gpu.models.tests module
BenchMarkTest
BenchMarkTest.addClassCleanup()
BenchMarkTest.addCleanup()
BenchMarkTest.addTypeEqualityFunc()
BenchMarkTest.assertAlmostEqual()
BenchMarkTest.assertCountEqual()
BenchMarkTest.assertDictEqual()
BenchMarkTest.assertEqual()
BenchMarkTest.assertFalse()
BenchMarkTest.assertGreater()
BenchMarkTest.assertGreaterEqual()
BenchMarkTest.assertIn()
BenchMarkTest.assertIs()
BenchMarkTest.assertIsInstance()
BenchMarkTest.assertIsNone()
BenchMarkTest.assertIsNot()
BenchMarkTest.assertIsNotNone()
BenchMarkTest.assertLess()
BenchMarkTest.assertLessEqual()
BenchMarkTest.assertListEqual()
BenchMarkTest.assertLogs()
BenchMarkTest.assertMultiLineEqual()
BenchMarkTest.assertNoLogs()
BenchMarkTest.assertNotAlmostEqual()
BenchMarkTest.assertNotEqual()
BenchMarkTest.assertNotIn()
BenchMarkTest.assertNotIsInstance()
BenchMarkTest.assertNotRegex()
BenchMarkTest.assertRaises()
BenchMarkTest.assertRaisesRegex()
BenchMarkTest.assertRegex()
BenchMarkTest.assertSequenceEqual()
BenchMarkTest.assertSetEqual()
BenchMarkTest.assertTrue()
BenchMarkTest.assertTupleEqual()
BenchMarkTest.assertWarns()
BenchMarkTest.assertWarnsRegex()
BenchMarkTest.checkRunResults()
BenchMarkTest.checkSettings()
BenchMarkTest.clearGenerated()
BenchMarkTest.countTestCases()
BenchMarkTest.createLargeMultitaskDataSet()
BenchMarkTest.createLargeTestDataSet()
BenchMarkTest.createSmallTestDataSet()
BenchMarkTest.createTestDataSetFromFrame()
BenchMarkTest.debug()
BenchMarkTest.defaultTestResult()
BenchMarkTest.doClassCleanups()
BenchMarkTest.doCleanups()
BenchMarkTest.enterClassContext()
BenchMarkTest.enterContext()
BenchMarkTest.fail()
BenchMarkTest.failureException
BenchMarkTest.getAllDescriptors()
BenchMarkTest.getBigDF()
BenchMarkTest.getDataPrepGrid()
BenchMarkTest.getDefaultCalculatorCombo()
BenchMarkTest.getDefaultPrep()
BenchMarkTest.getPrepCombos()
BenchMarkTest.getSmallDF()
BenchMarkTest.id()
BenchMarkTest.longMessage
BenchMarkTest.maxDiff
BenchMarkTest.run()
BenchMarkTest.setUp()
BenchMarkTest.setUpClass()
BenchMarkTest.setUpPaths()
BenchMarkTest.shortDescription()
BenchMarkTest.skipTest()
BenchMarkTest.subTest()
BenchMarkTest.tearDown()
BenchMarkTest.tearDownClass()
BenchMarkTest.testBasicTorchExecution()
BenchMarkTest.testChemProp()
BenchMarkTest.validate_split()
ChemPropTest
ChemPropTest.addClassCleanup()
ChemPropTest.addCleanup()
ChemPropTest.addTypeEqualityFunc()
ChemPropTest.assertAlmostEqual()
ChemPropTest.assertCountEqual()
ChemPropTest.assertDictEqual()
ChemPropTest.assertEqual()
ChemPropTest.assertFalse()
ChemPropTest.assertGreater()
ChemPropTest.assertGreaterEqual()
ChemPropTest.assertIn()
ChemPropTest.assertIs()
ChemPropTest.assertIsInstance()
ChemPropTest.assertIsNone()
ChemPropTest.assertIsNot()
ChemPropTest.assertIsNotNone()
ChemPropTest.assertLess()
ChemPropTest.assertLessEqual()
ChemPropTest.assertListEqual()
ChemPropTest.assertLogs()
ChemPropTest.assertMultiLineEqual()
ChemPropTest.assertNoLogs()
ChemPropTest.assertNotAlmostEqual()
ChemPropTest.assertNotEqual()
ChemPropTest.assertNotIn()
ChemPropTest.assertNotIsInstance()
ChemPropTest.assertNotRegex()
ChemPropTest.assertRaises()
ChemPropTest.assertRaisesRegex()
ChemPropTest.assertRegex()
ChemPropTest.assertSequenceEqual()
ChemPropTest.assertSetEqual()
ChemPropTest.assertTrue()
ChemPropTest.assertTupleEqual()
ChemPropTest.assertWarns()
ChemPropTest.assertWarnsRegex()
ChemPropTest.checkOptimization()
ChemPropTest.clearGenerated()
ChemPropTest.countTestCases()
ChemPropTest.createLargeMultitaskDataSet()
ChemPropTest.createLargeTestDataSet()
ChemPropTest.createSmallTestDataSet()
ChemPropTest.createTestDataSetFromFrame()
ChemPropTest.debug()
ChemPropTest.defaultTestResult()
ChemPropTest.doClassCleanups()
ChemPropTest.doCleanups()
ChemPropTest.enterClassContext()
ChemPropTest.enterContext()
ChemPropTest.fail()
ChemPropTest.failureException
ChemPropTest.fitTest()
ChemPropTest.getAllDescriptors()
ChemPropTest.getBigDF()
ChemPropTest.getDataPrepGrid()
ChemPropTest.getDefaultCalculatorCombo()
ChemPropTest.getDefaultPrep()
ChemPropTest.getModel()
ChemPropTest.getParamGrid()
ChemPropTest.getPrepCombos()
ChemPropTest.getSmallDF()
ChemPropTest.gridFile
ChemPropTest.id()
ChemPropTest.longMessage
ChemPropTest.maxDiff
ChemPropTest.predictorTest()
ChemPropTest.run()
ChemPropTest.setUp()
ChemPropTest.setUpClass()
ChemPropTest.setUpPaths()
ChemPropTest.shortDescription()
ChemPropTest.skipTest()
ChemPropTest.subTest()
ChemPropTest.tearDown()
ChemPropTest.tearDownClass()
ChemPropTest.testConsistency()
ChemPropTest.testMultiTaskmodel
ChemPropTest.testMultiTaskmodel_0_MoleculeModel_MULTITASK_REGRESSION()
ChemPropTest.testMultiTaskmodel_1_MoleculeModel_MULTITASK_SINGLECLASS_None()
ChemPropTest.testMultiTaskmodel_2_MoleculeModel_MULTITASK_SINGLECLASS_1_42()
ChemPropTest.testMultiTaskmodel_3_MoleculeModel_MULTITASK_SINGLECLASS_42_42()
ChemPropTest.testSingleTaskModel
ChemPropTest.testSingleTaskModel_0_MoleculeModel_SINGLECLASS()
ChemPropTest.testSingleTaskModel_1_MoleculeModel_MULTICLASS()
ChemPropTest.testSingleTaskModel_2_MoleculeModel_REGRESSION_None()
ChemPropTest.testSingleTaskModel_3_MoleculeModel_REGRESSION_1_42()
ChemPropTest.testSingleTaskModel_4_MoleculeModel_REGRESSION_42_42()
ChemPropTest.validate_split()
NeuralNet
NeuralNet.addClassCleanup()
NeuralNet.addCleanup()
NeuralNet.addTypeEqualityFunc()
NeuralNet.assertAlmostEqual()
NeuralNet.assertCountEqual()
NeuralNet.assertDictEqual()
NeuralNet.assertEqual()
NeuralNet.assertFalse()
NeuralNet.assertGreater()
NeuralNet.assertGreaterEqual()
NeuralNet.assertIn()
NeuralNet.assertIs()
NeuralNet.assertIsInstance()
NeuralNet.assertIsNone()
NeuralNet.assertIsNot()
NeuralNet.assertIsNotNone()
NeuralNet.assertLess()
NeuralNet.assertLessEqual()
NeuralNet.assertListEqual()
NeuralNet.assertLogs()
NeuralNet.assertMultiLineEqual()
NeuralNet.assertNoLogs()
NeuralNet.assertNotAlmostEqual()
NeuralNet.assertNotEqual()
NeuralNet.assertNotIn()
NeuralNet.assertNotIsInstance()
NeuralNet.assertNotRegex()
NeuralNet.assertRaises()
NeuralNet.assertRaisesRegex()
NeuralNet.assertRegex()
NeuralNet.assertSequenceEqual()
NeuralNet.assertSetEqual()
NeuralNet.assertTrue()
NeuralNet.assertTupleEqual()
NeuralNet.assertWarns()
NeuralNet.assertWarnsRegex()
NeuralNet.checkOptimization()
NeuralNet.clearGenerated()
NeuralNet.countTestCases()
NeuralNet.createLargeMultitaskDataSet()
NeuralNet.createLargeTestDataSet()
NeuralNet.createSmallTestDataSet()
NeuralNet.createTestDataSetFromFrame()
NeuralNet.debug()
NeuralNet.defaultTestResult()
NeuralNet.doClassCleanups()
NeuralNet.doCleanups()
NeuralNet.enterClassContext()
NeuralNet.enterContext()
NeuralNet.fail()
NeuralNet.failureException
NeuralNet.fitTest()
NeuralNet.getAllDescriptors()
NeuralNet.getBigDF()
NeuralNet.getDataPrepGrid()
NeuralNet.getDefaultCalculatorCombo()
NeuralNet.getDefaultPrep()
NeuralNet.getModel()
NeuralNet.getParamGrid()
NeuralNet.getPrepCombos()
NeuralNet.getSmallDF()
NeuralNet.gridFile
NeuralNet.id()
NeuralNet.longMessage
NeuralNet.maxDiff
NeuralNet.predictorTest()
NeuralNet.run()
NeuralNet.setUp()
NeuralNet.setUpClass()
NeuralNet.setUpPaths()
NeuralNet.shortDescription()
NeuralNet.skipTest()
NeuralNet.subTest()
NeuralNet.tearDown()
NeuralNet.tearDownClass()
NeuralNet.testSingleTaskModel
NeuralNet.testSingleTaskModel_0_STFullyConnected_SINGLECLASS()
NeuralNet.testSingleTaskModel_1_STFullyConnected_MULTICLASS()
NeuralNet.testSingleTaskModel_2_STFullyConnected_REGRESSION_None()
NeuralNet.testSingleTaskModel_3_STFullyConnected_REGRESSION_1_42()
NeuralNet.testSingleTaskModel_4_STFullyConnected_REGRESSION_42_42()
NeuralNet.validate_split()
TestNNMonitoring
TestNNMonitoring.addClassCleanup()
TestNNMonitoring.addCleanup()
TestNNMonitoring.addTypeEqualityFunc()
TestNNMonitoring.assertAlmostEqual()
TestNNMonitoring.assertCountEqual()
TestNNMonitoring.assertDictEqual()
TestNNMonitoring.assertEqual()
TestNNMonitoring.assertFalse()
TestNNMonitoring.assertGreater()
TestNNMonitoring.assertGreaterEqual()
TestNNMonitoring.assertIn()
TestNNMonitoring.assertIs()
TestNNMonitoring.assertIsInstance()
TestNNMonitoring.assertIsNone()
TestNNMonitoring.assertIsNot()
TestNNMonitoring.assertIsNotNone()
TestNNMonitoring.assertLess()
TestNNMonitoring.assertLessEqual()
TestNNMonitoring.assertListEqual()
TestNNMonitoring.assertLogs()
TestNNMonitoring.assertMultiLineEqual()
TestNNMonitoring.assertNoLogs()
TestNNMonitoring.assertNotAlmostEqual()
TestNNMonitoring.assertNotEqual()
TestNNMonitoring.assertNotIn()
TestNNMonitoring.assertNotIsInstance()
TestNNMonitoring.assertNotRegex()
TestNNMonitoring.assertRaises()
TestNNMonitoring.assertRaisesRegex()
TestNNMonitoring.assertRegex()
TestNNMonitoring.assertSequenceEqual()
TestNNMonitoring.assertSetEqual()
TestNNMonitoring.assertTrue()
TestNNMonitoring.assertTupleEqual()
TestNNMonitoring.assertWarns()
TestNNMonitoring.assertWarnsRegex()
TestNNMonitoring.baseMonitorTest()
TestNNMonitoring.checkOptimization()
TestNNMonitoring.clearGenerated()
TestNNMonitoring.countTestCases()
TestNNMonitoring.createLargeMultitaskDataSet()
TestNNMonitoring.createLargeTestDataSet()
TestNNMonitoring.createSmallTestDataSet()
TestNNMonitoring.createTestDataSetFromFrame()
TestNNMonitoring.debug()
TestNNMonitoring.defaultTestResult()
TestNNMonitoring.doClassCleanups()
TestNNMonitoring.doCleanups()
TestNNMonitoring.enterClassContext()
TestNNMonitoring.enterContext()
TestNNMonitoring.fail()
TestNNMonitoring.failureException
TestNNMonitoring.fileMonitorTest()
TestNNMonitoring.fitTest()
TestNNMonitoring.getAllDescriptors()
TestNNMonitoring.getBigDF()
TestNNMonitoring.getDataPrepGrid()
TestNNMonitoring.getDefaultCalculatorCombo()
TestNNMonitoring.getDefaultPrep()
TestNNMonitoring.getParamGrid()
TestNNMonitoring.getPrepCombos()
TestNNMonitoring.getSmallDF()
TestNNMonitoring.gridFile
TestNNMonitoring.id()
TestNNMonitoring.listMonitorTest()
TestNNMonitoring.longMessage
TestNNMonitoring.maxDiff
TestNNMonitoring.predictorTest()
TestNNMonitoring.run()
TestNNMonitoring.runMonitorTest()
TestNNMonitoring.setUp()
TestNNMonitoring.setUpClass()
TestNNMonitoring.setUpPaths()
TestNNMonitoring.shortDescription()
TestNNMonitoring.skipTest()
TestNNMonitoring.subTest()
TestNNMonitoring.tearDown()
TestNNMonitoring.tearDownClass()
TestNNMonitoring.testBaseMonitor()
TestNNMonitoring.testFileMonitor()
TestNNMonitoring.testListMonitor()
TestNNMonitoring.trainModelWithMonitoring()
TestNNMonitoring.validate_split()
- Module contents
- qsprpred.extra.gpu.utils package
- Submodules
- qsprpred.extra.gpu.utils.parallel module
- qsprpred.extra.gpu.utils.tests module
TestMultiGPUGenerators
TestMultiGPUGenerators.addClassCleanup()
TestMultiGPUGenerators.addCleanup()
TestMultiGPUGenerators.addTypeEqualityFunc()
TestMultiGPUGenerators.assertAlmostEqual()
TestMultiGPUGenerators.assertCountEqual()
TestMultiGPUGenerators.assertDictEqual()
TestMultiGPUGenerators.assertEqual()
TestMultiGPUGenerators.assertFalse()
TestMultiGPUGenerators.assertGreater()
TestMultiGPUGenerators.assertGreaterEqual()
TestMultiGPUGenerators.assertIn()
TestMultiGPUGenerators.assertIs()
TestMultiGPUGenerators.assertIsInstance()
TestMultiGPUGenerators.assertIsNone()
TestMultiGPUGenerators.assertIsNot()
TestMultiGPUGenerators.assertIsNotNone()
TestMultiGPUGenerators.assertLess()
TestMultiGPUGenerators.assertLessEqual()
TestMultiGPUGenerators.assertListEqual()
TestMultiGPUGenerators.assertLogs()
TestMultiGPUGenerators.assertMultiLineEqual()
TestMultiGPUGenerators.assertNoLogs()
TestMultiGPUGenerators.assertNotAlmostEqual()
TestMultiGPUGenerators.assertNotEqual()
TestMultiGPUGenerators.assertNotIn()
TestMultiGPUGenerators.assertNotIsInstance()
TestMultiGPUGenerators.assertNotRegex()
TestMultiGPUGenerators.assertRaises()
TestMultiGPUGenerators.assertRaisesRegex()
TestMultiGPUGenerators.assertRegex()
TestMultiGPUGenerators.assertSequenceEqual()
TestMultiGPUGenerators.assertSetEqual()
TestMultiGPUGenerators.assertTrue()
TestMultiGPUGenerators.assertTupleEqual()
TestMultiGPUGenerators.assertWarns()
TestMultiGPUGenerators.assertWarnsRegex()
TestMultiGPUGenerators.countTestCases()
TestMultiGPUGenerators.debug()
TestMultiGPUGenerators.defaultTestResult()
TestMultiGPUGenerators.doClassCleanups()
TestMultiGPUGenerators.doCleanups()
TestMultiGPUGenerators.enterClassContext()
TestMultiGPUGenerators.enterContext()
TestMultiGPUGenerators.fail()
TestMultiGPUGenerators.failureException
TestMultiGPUGenerators.func()
TestMultiGPUGenerators.func_batched()
TestMultiGPUGenerators.id()
TestMultiGPUGenerators.longMessage
TestMultiGPUGenerators.maxDiff
TestMultiGPUGenerators.run()
TestMultiGPUGenerators.setUp()
TestMultiGPUGenerators.setUpClass()
TestMultiGPUGenerators.shortDescription()
TestMultiGPUGenerators.skipTest()
TestMultiGPUGenerators.subTest()
TestMultiGPUGenerators.tearDown()
TestMultiGPUGenerators.tearDownClass()
TestMultiGPUGenerators.testBatched
TestMultiGPUGenerators.testBatched_0()
TestMultiGPUGenerators.testBatched_1()
TestMultiGPUGenerators.testSimple
TestMultiGPUGenerators.testSimple_0()
TestMultiGPUGenerators.testSimple_1()
TestThreadedGeneratorsGPU
TestThreadedGeneratorsGPU.addClassCleanup()
TestThreadedGeneratorsGPU.addCleanup()
TestThreadedGeneratorsGPU.addTypeEqualityFunc()
TestThreadedGeneratorsGPU.assertAlmostEqual()
TestThreadedGeneratorsGPU.assertCountEqual()
TestThreadedGeneratorsGPU.assertDictEqual()
TestThreadedGeneratorsGPU.assertEqual()
TestThreadedGeneratorsGPU.assertFalse()
TestThreadedGeneratorsGPU.assertGreater()
TestThreadedGeneratorsGPU.assertGreaterEqual()
TestThreadedGeneratorsGPU.assertIn()
TestThreadedGeneratorsGPU.assertIs()
TestThreadedGeneratorsGPU.assertIsInstance()
TestThreadedGeneratorsGPU.assertIsNone()
TestThreadedGeneratorsGPU.assertIsNot()
TestThreadedGeneratorsGPU.assertIsNotNone()
TestThreadedGeneratorsGPU.assertLess()
TestThreadedGeneratorsGPU.assertLessEqual()
TestThreadedGeneratorsGPU.assertListEqual()
TestThreadedGeneratorsGPU.assertLogs()
TestThreadedGeneratorsGPU.assertMultiLineEqual()
TestThreadedGeneratorsGPU.assertNoLogs()
TestThreadedGeneratorsGPU.assertNotAlmostEqual()
TestThreadedGeneratorsGPU.assertNotEqual()
TestThreadedGeneratorsGPU.assertNotIn()
TestThreadedGeneratorsGPU.assertNotIsInstance()
TestThreadedGeneratorsGPU.assertNotRegex()
TestThreadedGeneratorsGPU.assertRaises()
TestThreadedGeneratorsGPU.assertRaisesRegex()
TestThreadedGeneratorsGPU.assertRegex()
TestThreadedGeneratorsGPU.assertSequenceEqual()
TestThreadedGeneratorsGPU.assertSetEqual()
TestThreadedGeneratorsGPU.assertTrue()
TestThreadedGeneratorsGPU.assertTupleEqual()
TestThreadedGeneratorsGPU.assertWarns()
TestThreadedGeneratorsGPU.assertWarnsRegex()
TestThreadedGeneratorsGPU.countTestCases()
TestThreadedGeneratorsGPU.debug()
TestThreadedGeneratorsGPU.defaultTestResult()
TestThreadedGeneratorsGPU.doClassCleanups()
TestThreadedGeneratorsGPU.doCleanups()
TestThreadedGeneratorsGPU.enterClassContext()
TestThreadedGeneratorsGPU.enterContext()
TestThreadedGeneratorsGPU.fail()
TestThreadedGeneratorsGPU.failureException
TestThreadedGeneratorsGPU.gpu_func()
TestThreadedGeneratorsGPU.gpu_func_batched()
TestThreadedGeneratorsGPU.id()
TestThreadedGeneratorsGPU.longMessage
TestThreadedGeneratorsGPU.maxDiff
TestThreadedGeneratorsGPU.run()
TestThreadedGeneratorsGPU.setUp()
TestThreadedGeneratorsGPU.setUpClass()
TestThreadedGeneratorsGPU.shortDescription()
TestThreadedGeneratorsGPU.skipTest()
TestThreadedGeneratorsGPU.subTest()
TestThreadedGeneratorsGPU.tearDown()
TestThreadedGeneratorsGPU.tearDownClass()
TestThreadedGeneratorsGPU.testBatchedGPU()
TestThreadedGeneratorsGPU.testSimpleGPU()
- Module contents