7.1.1.3. citrine.informatics package
7.1.1.3.1. Subpackages
- citrine.informatics.catalyst package
- citrine.informatics.constraints package
- Submodules
- citrine.informatics.constraints.categorical_constraint module
- citrine.informatics.constraints.constraint module
- citrine.informatics.constraints.ingredient_count_constraint module
- citrine.informatics.constraints.ingredient_fraction_constraint module
- citrine.informatics.constraints.ingredient_ratio_constraint module
- citrine.informatics.constraints.integer_range_constraint module
- citrine.informatics.constraints.label_fraction_constraint module
- citrine.informatics.constraints.scalar_range_constraint module
- Module contents
- Submodules
- citrine.informatics.design_spaces package
- Submodules
- citrine.informatics.design_spaces.data_source_design_space module
- citrine.informatics.design_spaces.design_space module
- citrine.informatics.design_spaces.design_space_settings module
- citrine.informatics.design_spaces.enumerated_design_space module
- citrine.informatics.design_spaces.formulation_design_space module
- citrine.informatics.design_spaces.hierarchical_design_space module
- citrine.informatics.design_spaces.product_design_space module
- citrine.informatics.design_spaces.sample_design_space module
- Module contents
- Submodules
- citrine.informatics.executions package
- Submodules
- citrine.informatics.executions.design_execution module
- citrine.informatics.executions.execution module
- citrine.informatics.executions.generative_design_execution module
- citrine.informatics.executions.predictor_evaluation module
- citrine.informatics.executions.predictor_evaluation_execution module
- citrine.informatics.executions.sample_design_space_execution module
- Module contents
- Submodules
- citrine.informatics.predictors package
- Submodules
- citrine.informatics.predictors.attribute_accumulation_predictor module
- citrine.informatics.predictors.auto_ml_predictor module
- citrine.informatics.predictors.chemical_formula_featurizer module
- citrine.informatics.predictors.expression_predictor module
- citrine.informatics.predictors.graph_predictor module
- citrine.informatics.predictors.ingredient_fractions_predictor module
- citrine.informatics.predictors.ingredients_to_formulation_predictor module
- citrine.informatics.predictors.label_fractions_predictor module
- citrine.informatics.predictors.mean_property_predictor module
- citrine.informatics.predictors.molecular_structure_featurizer module
- citrine.informatics.predictors.node module
- citrine.informatics.predictors.predictor module
- citrine.informatics.predictors.simple_mixture_predictor module
- citrine.informatics.predictors.single_predict_request module
- citrine.informatics.predictors.single_prediction module
- Module contents
- Submodules
- citrine.informatics.workflows package
7.1.1.3.2. Submodules
- citrine.informatics.data_sources module
- citrine.informatics.descriptors module
CategoricalDescriptorChemicalFormulaDescriptorDescriptorFormulationDescriptorFormulationKeyFormulationKey.capitalize()FormulationKey.casefold()FormulationKey.center()FormulationKey.count()FormulationKey.encode()FormulationKey.endswith()FormulationKey.expandtabs()FormulationKey.find()FormulationKey.format()FormulationKey.format_map()FormulationKey.index()FormulationKey.isalnum()FormulationKey.isalpha()FormulationKey.isascii()FormulationKey.isdecimal()FormulationKey.isdigit()FormulationKey.isidentifier()FormulationKey.islower()FormulationKey.isnumeric()FormulationKey.isprintable()FormulationKey.isspace()FormulationKey.istitle()FormulationKey.isupper()FormulationKey.join()FormulationKey.ljust()FormulationKey.lower()FormulationKey.lstrip()FormulationKey.maketrans()FormulationKey.partition()FormulationKey.removeprefix()FormulationKey.removesuffix()FormulationKey.replace()FormulationKey.rfind()FormulationKey.rindex()FormulationKey.rjust()FormulationKey.rpartition()FormulationKey.rsplit()FormulationKey.rstrip()FormulationKey.split()FormulationKey.splitlines()FormulationKey.startswith()FormulationKey.strip()FormulationKey.swapcase()FormulationKey.title()FormulationKey.translate()FormulationKey.upper()FormulationKey.zfill()FormulationKey.FLATFormulationKey.HIERARCHICAL
IntegerDescriptorMolecularStructureDescriptorRealDescriptor
- citrine.informatics.design_candidate module
ChemicalFormulaDesignCandidateDesignCandidate.build()DesignCandidate.dump()DesignCandidate.commentsDesignCandidate.hiddenDesignCandidate.identifiersDesignCandidate.materialDesignCandidate.material_idDesignCandidate.nameDesignCandidate.pinned_byDesignCandidate.pinned_timeDesignCandidate.primary_scoreDesignCandidate.uid
DesignMaterialDesignVariableHierarchicalDesignCandidateHierarchicalDesignMaterialMeanAndStdMixtureMolecularStructureSampleSearchSpaceResultCandidateTopCategories
- citrine.informatics.dimensions module
- citrine.informatics.experiment_values module
- citrine.informatics.feature_effects module
- citrine.informatics.generative_design module
FingerprintTypeFingerprintType.capitalize()FingerprintType.casefold()FingerprintType.center()FingerprintType.count()FingerprintType.encode()FingerprintType.endswith()FingerprintType.expandtabs()FingerprintType.find()FingerprintType.format()FingerprintType.format_map()FingerprintType.index()FingerprintType.isalnum()FingerprintType.isalpha()FingerprintType.isascii()FingerprintType.isdecimal()FingerprintType.isdigit()FingerprintType.isidentifier()FingerprintType.islower()FingerprintType.isnumeric()FingerprintType.isprintable()FingerprintType.isspace()FingerprintType.istitle()FingerprintType.isupper()FingerprintType.join()FingerprintType.ljust()FingerprintType.lower()FingerprintType.lstrip()FingerprintType.maketrans()FingerprintType.partition()FingerprintType.removeprefix()FingerprintType.removesuffix()FingerprintType.replace()FingerprintType.rfind()FingerprintType.rindex()FingerprintType.rjust()FingerprintType.rpartition()FingerprintType.rsplit()FingerprintType.rstrip()FingerprintType.split()FingerprintType.splitlines()FingerprintType.startswith()FingerprintType.strip()FingerprintType.swapcase()FingerprintType.title()FingerprintType.translate()FingerprintType.upper()FingerprintType.zfill()FingerprintType.APFingerprintType.BPFFingerprintType.ECFP4FingerprintType.ECFP6FingerprintType.FCFP4FingerprintType.FCFP6FingerprintType.PATHFingerprintType.PHCO
GenerativeDesignInputGenerativeDesignInput.build()GenerativeDesignInput.dump()GenerativeDesignInput.fingerprint_typeGenerativeDesignInput.min_fingerprint_similarityGenerativeDesignInput.min_substructure_countsGenerativeDesignInput.mutation_per_seedGenerativeDesignInput.seedsGenerativeDesignInput.structure_exclusions
GenerativeDesignResultStructureExclusionStructureExclusion.capitalize()StructureExclusion.casefold()StructureExclusion.center()StructureExclusion.count()StructureExclusion.encode()StructureExclusion.endswith()StructureExclusion.expandtabs()StructureExclusion.find()StructureExclusion.format()StructureExclusion.format_map()StructureExclusion.index()StructureExclusion.isalnum()StructureExclusion.isalpha()StructureExclusion.isascii()StructureExclusion.isdecimal()StructureExclusion.isdigit()StructureExclusion.isidentifier()StructureExclusion.islower()StructureExclusion.isnumeric()StructureExclusion.isprintable()StructureExclusion.isspace()StructureExclusion.istitle()StructureExclusion.isupper()StructureExclusion.join()StructureExclusion.ljust()StructureExclusion.lower()StructureExclusion.lstrip()StructureExclusion.maketrans()StructureExclusion.partition()StructureExclusion.removeprefix()StructureExclusion.removesuffix()StructureExclusion.replace()StructureExclusion.rfind()StructureExclusion.rindex()StructureExclusion.rjust()StructureExclusion.rpartition()StructureExclusion.rsplit()StructureExclusion.rstrip()StructureExclusion.split()StructureExclusion.splitlines()StructureExclusion.startswith()StructureExclusion.strip()StructureExclusion.swapcase()StructureExclusion.title()StructureExclusion.translate()StructureExclusion.upper()StructureExclusion.zfill()StructureExclusion.ANIONSStructureExclusion.BORONStructureExclusion.BROMINEStructureExclusion.CATIONSStructureExclusion.CHLORINEStructureExclusion.DOUBLE_BONDSStructureExclusion.FLUORINEStructureExclusion.IODINEStructureExclusion.IONSStructureExclusion.NITROGENStructureExclusion.OXYGENStructureExclusion.PHOSPHORUSStructureExclusion.SULFURStructureExclusion.TRIPLE_BONDS
- citrine.informatics.objectives module
- citrine.informatics.predict_request module
- citrine.informatics.predictor_evaluation_metrics module
- citrine.informatics.predictor_evaluation_result module
CategoricalPredictedVsActualCrossValidationResultMetricValuePredictedVsActualCategoricalPointPredictedVsActualCategoricalPoint.build()PredictedVsActualCategoricalPoint.dump()PredictedVsActualCategoricalPoint.actualPredictedVsActualCategoricalPoint.foldPredictedVsActualCategoricalPoint.identifiersPredictedVsActualCategoricalPoint.predictedPredictedVsActualCategoricalPoint.trialPredictedVsActualCategoricalPoint.uuid
PredictedVsActualRealPointPredictorEvaluationResultRealMetricValueRealPredictedVsActualResponseMetrics
- citrine.informatics.predictor_evaluator module
CrossValidationEvaluatorCrossValidationEvaluator.build()CrossValidationEvaluator.dump()CrossValidationEvaluator.get_type()CrossValidationEvaluator.descriptionCrossValidationEvaluator.ignore_when_groupingCrossValidationEvaluator.metricsCrossValidationEvaluator.n_foldsCrossValidationEvaluator.n_trialsCrossValidationEvaluator.nameCrossValidationEvaluator.responsesCrossValidationEvaluator.typ
HoldoutSetEvaluatorPredictorEvaluator
- citrine.informatics.reports module
- citrine.informatics.scores module
7.1.1.3.3. Module contents
Tools for working with Citrine Informatics functionality.