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.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_execution module
- citrine.informatics.executions.sample_design_space_execution module
- Module contents
- Submodules
- citrine.informatics.predictors package
- Submodules
- 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
CategoricalDescriptor
ChemicalFormulaDescriptor
Descriptor
FormulationDescriptor
FormulationKey
FormulationKey.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.FLAT
FormulationKey.HIERARCHICAL
IntegerDescriptor
MolecularStructureDescriptor
RealDescriptor
- citrine.informatics.design_candidate module
- citrine.informatics.dimensions module
- citrine.informatics.experiment_values module
- citrine.informatics.feature_effects module
- citrine.informatics.generative_design module
FingerprintType
FingerprintType.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.AP
FingerprintType.BPF
FingerprintType.ECFP4
FingerprintType.ECFP6
FingerprintType.FCFP4
FingerprintType.FCFP6
FingerprintType.PATH
FingerprintType.PHCO
GenerativeDesignInput
GenerativeDesignInput.build()
GenerativeDesignInput.dump()
GenerativeDesignInput.fingerprint_type
GenerativeDesignInput.min_fingerprint_similarity
GenerativeDesignInput.min_substructure_counts
GenerativeDesignInput.mutation_per_seed
GenerativeDesignInput.seeds
GenerativeDesignInput.structure_exclusions
GenerativeDesignResult
StructureExclusion
StructureExclusion.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.ANIONS
StructureExclusion.BORON
StructureExclusion.BROMINE
StructureExclusion.CATIONS
StructureExclusion.CHLORINE
StructureExclusion.DOUBLE_BONDS
StructureExclusion.FLUORINE
StructureExclusion.IODINE
StructureExclusion.IONS
StructureExclusion.NITROGEN
StructureExclusion.OXYGEN
StructureExclusion.PHOSPHORUS
StructureExclusion.SULFUR
StructureExclusion.TRIPLE_BONDS
- citrine.informatics.objectives module
- citrine.informatics.predict_request module
- citrine.informatics.predictor_evaluation_metrics module
- citrine.informatics.predictor_evaluation_result module
CategoricalPredictedVsActual
CrossValidationResult
MetricValue
PredictedVsActualCategoricalPoint
PredictedVsActualCategoricalPoint.build()
PredictedVsActualCategoricalPoint.dump()
PredictedVsActualCategoricalPoint.actual
PredictedVsActualCategoricalPoint.fold
PredictedVsActualCategoricalPoint.identifiers
PredictedVsActualCategoricalPoint.predicted
PredictedVsActualCategoricalPoint.trial
PredictedVsActualCategoricalPoint.uuid
PredictedVsActualRealPoint
PredictorEvaluationResult
RealMetricValue
RealPredictedVsActual
ResponseMetrics
- citrine.informatics.predictor_evaluator module
CrossValidationEvaluator
CrossValidationEvaluator.build()
CrossValidationEvaluator.dump()
CrossValidationEvaluator.get_type()
CrossValidationEvaluator.description
CrossValidationEvaluator.ignore_when_grouping
CrossValidationEvaluator.metrics
CrossValidationEvaluator.n_folds
CrossValidationEvaluator.n_trials
CrossValidationEvaluator.name
CrossValidationEvaluator.responses
CrossValidationEvaluator.typ
HoldoutSetEvaluator
PredictorEvaluator
- citrine.informatics.reports module
- citrine.informatics.scores module
7.1.1.3.3. Module contents
Tools for working with Citrine Informatics functionality.