Index

A

add() (rxn_network.entries.entry_set.GibbsEntrySet method) add_rxn_set() (rxn_network.reactions.reaction_set.ReactionSet method) add_rxns() (rxn_network.reactions.reaction_set.ReactionSet method) added_chemsys (rxn_network.jobs.schema.CompetitionTaskDocument attribute) (rxn_network.jobs.schema.EnumeratorTaskDocument attribute) added_elements (rxn_network.jobs.schema.CompetitionTaskDocument attribute) (rxn_network.jobs.schema.EnumeratorTaskDocument attribute) all_products (rxn_network.pathways.base.Pathway property)

all_reactants (rxn_network.pathways.base.Pathway property) as_dict() (rxn_network.entries.entry_set.GibbsEntrySet method) (rxn_network.entries.experimental.ExperimentalReferenceEntry method) (rxn_network.entries.gibbs.GibbsComputedEntry method) (rxn_network.network.base.Graph method) (rxn_network.network.base.Network method) (rxn_network.network.entry.NetworkEntry method) (rxn_network.reactions.open.OpenComputedReaction method) average_cost (rxn_network.pathways.balanced.BalancedPathway property)

B

balance() (rxn_network.pathways.balanced.BalancedPathway class method) (rxn_network.reactions.basic.BasicReaction class method) (rxn_network.reactions.computed.ComputedReaction class method) (rxn_network.reactions.open.OpenComputedReaction class method) balanced_paths (rxn_network.jobs.schema.PathwaySolverTaskDocument attribute) BalancedPathway (class in rxn_network.pathways.balanced) BasicEnumerator (class in rxn_network.enumerators.basic) BasicOpenEnumerator (class in rxn_network.enumerators.basic)

BasicPathway (class in rxn_network.pathways.basic) BasicReaction (class in rxn_network.reactions.basic) batch_size (rxn_network.jobs.schema.CompetitionTaskDocument attribute) build() (rxn_network.network.base.Network method) (rxn_network.network.network.ReactionNetwork method) build_grand_pd (rxn_network.enumerators.basic.BasicEnumerator property) build_indices() (rxn_network.entries.entry_set.GibbsEntrySet method) build_pd (rxn_network.enumerators.basic.BasicEnumerator property)

C

calculate() (rxn_network.costs.base.Calculator method) (rxn_network.costs.calculators.ChempotDistanceCalculator method) (rxn_network.costs.calculators.PrimaryCompetitionCalculator method) (rxn_network.costs.calculators.SecondaryCompetitionAreaCalculator method) (rxn_network.costs.calculators.SecondaryCompetitionCalculator method) (rxn_network.costs.calculators.SecondaryCompetitionMaxCalculator method) (rxn_network.costs.calculators.SecondaryCompetitionWithEhullCalculator method) calculate_chempot_distances (rxn_network.jobs.schema.CompetitionTaskDocument attribute) calculate_competition (rxn_network.jobs.schema.CompetitionTaskDocument attribute) calculate_costs() (rxn_network.reactions.reaction_set.ReactionSet method) calculate_many() (rxn_network.costs.base.Calculator method) CalculateCompetitionMaker (class in rxn_network.jobs.core) Calculator (class in rxn_network.costs.base) carbonate_correction (rxn_network.entries.corrections.CarbonateCorrection property) CarbonateCorrection (class in rxn_network.entries.corrections) CarbonDioxideAtmosphericCorrection (class in rxn_network.entries.corrections) chemical_system (rxn_network.reactions.basic.BasicReaction property) ChemicalPotentialDiagram (class in rxn_network.thermo.chempot_diagram) chempot (rxn_network.jobs.schema.CompetitionTaskDocument attribute) ChempotDistanceCalculator (class in rxn_network.costs.calculators) chemsys (rxn_network.entries.entry_set.GibbsEntrySet property) (rxn_network.jobs.schema.EnumeratorTaskDocument attribute) (rxn_network.network.base.Network property) (rxn_network.network.entry.NetworkEntry property)

coefficients (rxn_network.reactions.base.Reaction property) (rxn_network.reactions.basic.BasicReaction property) Composition (class in rxn_network.core) compositions (rxn_network.pathways.base.Pathway property) (rxn_network.pathways.plotting.PathwayPlotter property) (rxn_network.reactions.base.Reaction property) (rxn_network.reactions.basic.BasicReaction property) ComputedReaction (class in rxn_network.reactions.computed) contains_interdependent_rxns() (rxn_network.pathways.balanced.BalancedPathway method) copy() (rxn_network.entries.entry_set.GibbsEntrySet method) (rxn_network.entries.gibbs.GibbsComputedEntry method) (rxn_network.reactions.basic.BasicReaction method) (rxn_network.reactions.computed.ComputedReaction method) (rxn_network.reactions.open.OpenComputedReaction method) CostFunction (class in rxn_network.costs.base) costs (rxn_network.pathways.solver.Solver property) count() (rxn_network.reactions.hull.InterfaceReactionHull method) cpd_kwargs (rxn_network.jobs.schema.CompetitionTaskDocument attribute)

D

datetime_str() (in module rxn_network.utils.funcs) decorate() (rxn_network.costs.base.Calculator method) decorate_many() (rxn_network.costs.base.Calculator method) description (rxn_network.network.entry.NetworkEntry property)

df (rxn_network.pathways.plotting.PathwayPlotter property) dim (rxn_network.network.entry.NetworkEntry property) discard() (rxn_network.entries.entry_set.GibbsEntrySet method) domains (rxn_network.thermo.chempot_diagram.ChemicalPotentialDiagram property) DummyEntry (class in rxn_network.network.entry)

E

e_above_hull (rxn_network.jobs.schema.EntrySetDocument attribute) elements (rxn_network.jobs.schema.EnumeratorTaskDocument attribute) (rxn_network.network.entry.NetworkEntry property) (rxn_network.reactions.base.Reaction property) (rxn_network.reactions.open.OpenComputedReaction property) elems (rxn_network.pathways.plotting.PathwayPlotter property) energy (rxn_network.pathways.base.Pathway property) (rxn_network.reactions.base.Reaction property) (rxn_network.reactions.basic.BasicReaction property) (rxn_network.reactions.computed.ComputedReaction property) (rxn_network.reactions.open.OpenComputedReaction property) energy_per_atom (rxn_network.pathways.base.Pathway property) (rxn_network.reactions.basic.BasicReaction property) (rxn_network.reactions.computed.ComputedReaction property) energy_uncertainty (rxn_network.reactions.computed.ComputedReaction property)

energy_uncertainty_per_atom (rxn_network.reactions.computed.ComputedReaction property) entries (rxn_network.jobs.schema.EntrySetDocument attribute) (rxn_network.network.entry.NetworkEntry property) (rxn_network.pathways.base.Pathway property) (rxn_network.pathways.solver.PathwaySolver property) (rxn_network.reactions.computed.ComputedReaction property) entries_list (rxn_network.entries.entry_set.GibbsEntrySet property) enumerate() (rxn_network.enumerators.base.Enumerator method) (rxn_network.enumerators.basic.BasicEnumerator method) Enumerator (class in rxn_network.enumerators.base) enumerators (rxn_network.jobs.schema.EnumeratorTaskDocument attribute) evaluate() (rxn_network.costs.base.CostFunction method) (rxn_network.costs.functions.Softplus method) (rxn_network.costs.functions.WeightedSum method) expand_pd() (in module rxn_network.thermo.utils) ExperimentalReferenceEntry (class in rxn_network.entries.experimental)

F

filter_by_stability() (rxn_network.entries.entry_set.GibbsEntrySet method) filter_df_by_precursors() (in module rxn_network.reactions.plotting) filter_duplicates() (rxn_network.reactions.reaction_set.ReactionSet method) filter_interdependent (rxn_network.jobs.schema.PathwaySolverTaskDocument attribute) find_intermediate_rxns (rxn_network.jobs.schema.PathwaySolverTaskDocument attribute) find_pathways() (rxn_network.network.base.Network method) (rxn_network.network.network.ReactionNetwork method) formulas (rxn_network.pathways.plotting.PathwayPlotter property) formulas_to_include (rxn_network.jobs.schema.EntrySetDocument attribute) FREEDReferenceEntry (class in rxn_network.entries.freed) from_computed_entries() (rxn_network.entries.entry_set.GibbsEntrySet class method) from_computed_rxn() (rxn_network.reactions.open.OpenComputedReaction class method)

from_dict() (rxn_network.entries.experimental.ExperimentalReferenceEntry class method) (rxn_network.entries.gibbs.GibbsComputedEntry class method) (rxn_network.network.base.Graph class method) (rxn_network.network.base.Network class method) (rxn_network.network.entry.NetworkEntry class method) (rxn_network.reactions.open.OpenComputedReaction class method) from_entries() (rxn_network.costs.calculators.ChempotDistanceCalculator class method) from_formulas() (rxn_network.reactions.basic.BasicReaction class method) from_paths() (rxn_network.pathways.pathway_set.PathwaySet class method) from_pd() (rxn_network.entries.entry_set.GibbsEntrySet class method) from_rxns() (rxn_network.reactions.reaction_set.ReactionSet class method) from_string() (rxn_network.reactions.basic.BasicReaction class method) from_structure() (rxn_network.entries.gibbs.GibbsComputedEntry class method)

G

get_added_elem_data() (in module rxn_network.jobs.utils) get_adjusted_entry() (rxn_network.entries.entry_set.GibbsEntrySet static method) get_all_entries_in_chemsys() (in module rxn_network.entries.utils) get_coeff() (rxn_network.reactions.basic.BasicReaction method) get_coeff_vector_for_rxn() (rxn_network.pathways.balanced.BalancedPathway method) get_comp_matrix() (rxn_network.pathways.balanced.BalancedPathway method) get_computed_rxn() (in module rxn_network.enumerators.utils) get_coordinate() (rxn_network.reactions.hull.InterfaceReactionHull method) get_coords_in_range() (rxn_network.reactions.hull.InterfaceReactionHull method) get_decomposition_area() (rxn_network.reactions.hull.InterfaceReactionHull method) get_decomposition_energy() (rxn_network.reactions.hull.InterfaceReactionHull method) get_decomposition_energy_and_num_paths_recursive() (rxn_network.reactions.hull.InterfaceReactionHull method) get_dmu() (rxn_network.entries.corrections.CarbonDioxideAtmosphericCorrection method) get_e_above_hull() (rxn_network.entries.entry_set.GibbsEntrySet method) get_edge_weight() (in module rxn_network.network.network) get_el_amount() (rxn_network.reactions.basic.BasicReaction method) get_elems_set() (in module rxn_network.enumerators.utils) get_energy_above_hull() (rxn_network.reactions.hull.InterfaceReactionHull method) get_entries() (in module rxn_network.entries.utils) get_entries_with_jitter() (rxn_network.entries.entry_set.GibbsEntrySet method) get_entries_with_new_temperature() (rxn_network.entries.entry_set.GibbsEntrySet method) get_entry_idx_vector() (rxn_network.reactions.computed.ComputedReaction method) get_hull_energy() (rxn_network.reactions.hull.InterfaceReactionHull method) get_interpolated_entry() (rxn_network.entries.entry_set.GibbsEntrySet method) get_logger() (in module rxn_network.utils.funcs) get_loopback_edges() (in module rxn_network.network.network) get_max_decomposition_energy() (rxn_network.reactions.hull.InterfaceReactionHull method) get_min_entry_by_formula() (rxn_network.entries.entry_set.GibbsEntrySet method)

get_new_temperature() (rxn_network.entries.experimental.ExperimentalReferenceEntry method) (rxn_network.entries.gibbs.GibbsComputedEntry method) (rxn_network.entries.interpolated.InterpolatedEntry method) (rxn_network.reactions.computed.ComputedReaction method) (rxn_network.reactions.open.OpenComputedReaction method) get_offset() (rxn_network.thermo.chempot_diagram.ChemicalPotentialDiagram method) get_pareto_front() (in module rxn_network.costs.pareto) get_primary_competition() (rxn_network.reactions.hull.InterfaceReactionHull method) get_project_root() (in module rxn_network.utils.funcs) get_reactions_by_coordinate() (rxn_network.reactions.hull.InterfaceReactionHull method) get_rxn_nodes_and_edges() (in module rxn_network.network.network) get_rxns() (rxn_network.reactions.reaction_set.ReactionSet method) get_rxns_by_product() (rxn_network.reactions.reaction_set.ReactionSet method) get_rxns_by_reactants() (rxn_network.reactions.reaction_set.ReactionSet method) get_secondary_competition() (rxn_network.reactions.hull.InterfaceReactionHull method) get_secondary_competition_area() (rxn_network.reactions.hull.InterfaceReactionHull method) get_secondary_competition_max_energy() (rxn_network.reactions.hull.InterfaceReactionHull method) get_stabilized_entry() (rxn_network.entries.entry_set.GibbsEntrySet method) get_subset_in_chemsys() (rxn_network.entries.entry_set.GibbsEntrySet method) get_total_chemsys_str() (in module rxn_network.enumerators.utils) GetEntrySetMaker (class in rxn_network.jobs.core) gibbs_adjustment() (rxn_network.entries.gibbs.GibbsComputedEntry method) GibbsComputedEntry (class in rxn_network.entries.gibbs) GibbsEntrySet (class in rxn_network.entries.entry_set) Graph (class in rxn_network.network.base) graph (rxn_network.network.base.Network property) group_by_chemsys() (in module rxn_network.enumerators.utils) grouper() (in module rxn_network.utils.funcs)

H

hs_int (rxn_network.thermo.chempot_diagram.ChemicalPotentialDiagram property)

hull_vertices (rxn_network.reactions.hull.InterfaceReactionHull property)

I

include_polymorphs (rxn_network.jobs.schema.EntrySetDocument attribute) initialize_entry() (in module rxn_network.entries.utils) initialize_ray() (in module rxn_network.utils.ray) InterfaceReactionHull (class in rxn_network.reactions.hull) intermediate_rxn_energy_cutoff (rxn_network.jobs.schema.PathwaySolverTaskDocument attribute) intermediates (rxn_network.pathways.base.Pathway property) InterpolatedEntry (class in rxn_network.entries.interpolated)

is_element (rxn_network.entries.experimental.ExperimentalReferenceEntry property) is_experimental (rxn_network.entries.experimental.ExperimentalReferenceEntry property) (rxn_network.entries.gibbs.GibbsComputedEntry property) (rxn_network.entries.interpolated.InterpolatedEntry property) (rxn_network.pathways.basic.BasicPathway property) is_identity (rxn_network.reactions.basic.BasicReaction property) is_pareto_efficient() (in module rxn_network.costs.pareto) is_separable() (rxn_network.reactions.basic.BasicReaction method)

K

k (rxn_network.jobs.schema.NetworkTaskDocument attribute)

L

last_updated (rxn_network.jobs.schema.CompetitionTaskDocument attribute) (rxn_network.jobs.schema.EntrySetDocument attribute) (rxn_network.jobs.schema.EnumeratorTaskDocument attribute) (rxn_network.jobs.schema.NetworkTaskDocument attribute) (rxn_network.jobs.schema.PathwaySolverTaskDocument attribute)

limited_powerset() (in module rxn_network.utils.funcs) load_experimental_data() (in module rxn_network.data)

M

make() (rxn_network.flows.core.NetworkFlowMaker method) (rxn_network.flows.core.SynthesisPlanningFlowMaker method) (rxn_network.jobs.core.CalculateCompetitionMaker method) (rxn_network.jobs.core.GetEntrySetMaker method) (rxn_network.jobs.core.NetworkMaker method) (rxn_network.jobs.core.PathwaySolverMaker method) (rxn_network.jobs.core.ReactionEnumerationMaker method) make_float_keys() (in module rxn_network.data) max_num_combos (rxn_network.jobs.schema.PathwaySolverTaskDocument attribute) metastable_domains (rxn_network.thermo.chempot_diagram.ChemicalPotentialDiagram property) min_entries_by_formula (rxn_network.entries.entry_set.GibbsEntrySet property) MinimizeGibbsEnumerator (class in rxn_network.enumerators.minimize) MinimizeGrandPotentialEnumerator (class in rxn_network.enumerators.minimize) model_computed_fields (rxn_network.jobs.schema.CompetitionTaskDocument attribute) (rxn_network.jobs.schema.EntrySetDocument attribute) (rxn_network.jobs.schema.EnumeratorTaskDocument attribute) (rxn_network.jobs.schema.NetworkTaskDocument attribute) (rxn_network.jobs.schema.PathwaySolverTaskDocument attribute) module rxn_network.core rxn_network.costs.base rxn_network.costs.calculators rxn_network.costs.functions rxn_network.costs.pareto rxn_network.data rxn_network.entries.corrections rxn_network.entries.entry_set rxn_network.entries.experimental rxn_network.entries.freed rxn_network.entries.gibbs rxn_network.entries.interpolated rxn_network.entries.nist rxn_network.entries.utils rxn_network.enumerators.base rxn_network.enumerators.basic rxn_network.enumerators.minimize rxn_network.enumerators.utils rxn_network.flows.core rxn_network.jobs.core rxn_network.jobs.schema rxn_network.jobs.utils rxn_network.network.base rxn_network.network.entry rxn_network.network.network rxn_network.network.visualize rxn_network.pathways.balanced rxn_network.pathways.base rxn_network.pathways.basic rxn_network.pathways.pathway_set rxn_network.pathways.plotting rxn_network.pathways.solver rxn_network.reactions.base rxn_network.reactions.basic rxn_network.reactions.computed rxn_network.reactions.hull rxn_network.reactions.open rxn_network.reactions.plotting rxn_network.reactions.reaction_set rxn_network.thermo.chempot_diagram rxn_network.thermo.utils rxn_network.utils.funcs rxn_network.utils.ray

N

net_rxn (rxn_network.jobs.schema.PathwaySolverTaskDocument attribute) Network (class in rxn_network.network.base) network (rxn_network.jobs.schema.NetworkTaskDocument attribute) NetworkEntry (class in rxn_network.network.entry) NetworkEntryType (class in rxn_network.network.entry) NetworkFlowMaker (class in rxn_network.flows.core) NetworkMaker (class in rxn_network.jobs.core) NISTReferenceEntry (class in rxn_network.entries.nist) normal() (in module rxn_network.entries.entry_set) normalize_to() (rxn_network.reactions.basic.BasicReaction method) (rxn_network.reactions.computed.ComputedReaction method)

normalize_to_element() (rxn_network.reactions.basic.BasicReaction method) (rxn_network.reactions.computed.ComputedReaction method) normalized_repr (rxn_network.reactions.basic.BasicReaction property) normalized_repr_and_factor() (rxn_network.reactions.basic.BasicReaction method) num_atoms (rxn_network.reactions.basic.BasicReaction property) num_atoms_df (rxn_network.pathways.plotting.PathwayPlotter property) num_entries (rxn_network.pathways.solver.Solver property) num_ions (rxn_network.entries.corrections.CarbonateCorrection property) num_rxns (rxn_network.pathways.solver.Solver property)

O

open_elem (rxn_network.jobs.schema.CompetitionTaskDocument attribute)

OpenComputedReaction (class in rxn_network.reactions.open)

P

parse_criteria() (in module rxn_network.entries.utils) paths (rxn_network.jobs.schema.NetworkTaskDocument attribute) (rxn_network.pathways.pathway_set.PathwaySet property) Pathway (class in rxn_network.pathways.base) PathwayPlotter (class in rxn_network.pathways.plotting) pathways (rxn_network.pathways.solver.Solver property) PathwaySet (class in rxn_network.pathways.pathway_set) PathwaySolver (class in rxn_network.pathways.solver) PathwaySolverMaker (class in rxn_network.jobs.core) pco2 (rxn_network.entries.corrections.CarbonDioxideAtmosphericCorrection property) pd_dict (rxn_network.entries.entry_set.GibbsEntrySet property) plot() (rxn_network.reactions.hull.InterfaceReactionHull method) plot_energy_cascade() (rxn_network.pathways.plotting.PathwayPlotter method) plot_network() (in module rxn_network.network.visualize)

plot_pathway() (rxn_network.pathways.plotting.PathwayPlotter method) plot_reaction_scatter() (in module rxn_network.reactions.plotting) precursors (rxn_network.jobs.schema.NetworkTaskDocument attribute) (rxn_network.jobs.schema.PathwaySolverTaskDocument attribute) (rxn_network.network.base.Network property) pretty_df_layout() (in module rxn_network.reactions.plotting) PrimaryCompetitionCalculator (class in rxn_network.costs.calculators) process_entries() (in module rxn_network.entries.utils) product_atomic_fractions (rxn_network.reactions.basic.BasicReaction property) (rxn_network.reactions.open.OpenComputedReaction property) product_molar_fractions (rxn_network.reactions.basic.BasicReaction property) products (rxn_network.pathways.base.Pathway property) (rxn_network.reactions.base.Reaction property) (rxn_network.reactions.basic.BasicReaction property)

R

react_interface() (in module rxn_network.enumerators.utils) reactant_atomic_fractions (rxn_network.reactions.basic.BasicReaction property) (rxn_network.reactions.open.OpenComputedReaction property) reactant_molar_fractions (rxn_network.reactions.basic.BasicReaction property) reactants (rxn_network.pathways.base.Pathway property) (rxn_network.reactions.base.Reaction property) (rxn_network.reactions.basic.BasicReaction property) Reaction (class in rxn_network.reactions.base) ReactionEnumerationMaker (class in rxn_network.jobs.core) ReactionNetwork (class in rxn_network.network.network) reactions (rxn_network.pathways.basic.BasicPathway property) (rxn_network.pathways.solver.Solver property) ReactionSet (class in rxn_network.reactions.reaction_set) reduced_formula (rxn_network.core.Composition property) reverse() (rxn_network.reactions.basic.BasicReaction method) (rxn_network.reactions.computed.ComputedReaction method) (rxn_network.reactions.open.OpenComputedReaction method) run_enumerators() (in module rxn_network.enumerators.utils) rxn_network.core module rxn_network.costs.base module rxn_network.costs.calculators module rxn_network.costs.functions module rxn_network.costs.pareto module rxn_network.data module rxn_network.entries.corrections module rxn_network.entries.entry_set module rxn_network.entries.experimental module rxn_network.entries.freed module rxn_network.entries.gibbs module rxn_network.entries.interpolated module rxn_network.entries.nist module rxn_network.entries.utils module rxn_network.enumerators.base module rxn_network.enumerators.basic module rxn_network.enumerators.minimize module rxn_network.enumerators.utils module

rxn_network.flows.core module rxn_network.jobs.core module rxn_network.jobs.schema module rxn_network.jobs.utils module rxn_network.network.base module rxn_network.network.entry module rxn_network.network.network module rxn_network.network.visualize module rxn_network.pathways.balanced module rxn_network.pathways.base module rxn_network.pathways.basic module rxn_network.pathways.pathway_set module rxn_network.pathways.plotting module rxn_network.pathways.solver module rxn_network.reactions.base module rxn_network.reactions.basic module rxn_network.reactions.computed module rxn_network.reactions.hull module rxn_network.reactions.open module rxn_network.reactions.plotting module rxn_network.reactions.reaction_set module rxn_network.thermo.chempot_diagram module rxn_network.thermo.utils module rxn_network.utils.funcs module rxn_network.utils.ray module rxns (rxn_network.jobs.schema.CompetitionTaskDocument attribute) (rxn_network.jobs.schema.EnumeratorTaskDocument attribute)

S

SecondaryCompetitionAreaCalculator (class in rxn_network.costs.calculators) SecondaryCompetitionCalculator (class in rxn_network.costs.calculators) SecondaryCompetitionMaxCalculator (class in rxn_network.costs.calculators) SecondaryCompetitionWithEhullCalculator (class in rxn_network.costs.calculators) set_chempot() (rxn_network.reactions.reaction_set.ReactionSet method) set_new_temperature() (rxn_network.reactions.reaction_set.ReactionSet method) set_precursors() (rxn_network.network.base.Network method) (rxn_network.network.network.ReactionNetwork method) set_target() (rxn_network.network.base.Network method) (rxn_network.network.network.ReactionNetwork method)

shortest_domain_distance() (rxn_network.thermo.chempot_diagram.ChemicalPotentialDiagram method) Softplus (class in rxn_network.costs.functions) solve() (rxn_network.pathways.solver.PathwaySolver method) Solver (class in rxn_network.pathways.solver) solver (rxn_network.jobs.schema.PathwaySolverTaskDocument attribute) stabilize (rxn_network.enumerators.basic.BasicEnumerator property) stabilize_entries() (in module rxn_network.enumerators.utils) stable_reactions (rxn_network.reactions.hull.InterfaceReactionHull property) SynthesisPlanningFlowMaker (class in rxn_network.flows.core)

T

target (rxn_network.network.base.Network property) target_formula (rxn_network.jobs.schema.CompetitionTaskDocument attribute) targets (rxn_network.jobs.schema.EnumeratorTaskDocument attribute) (rxn_network.jobs.schema.NetworkTaskDocument attribute) (rxn_network.jobs.schema.PathwaySolverTaskDocument attribute) task_label (rxn_network.jobs.schema.CompetitionTaskDocument attribute) (rxn_network.jobs.schema.EntrySetDocument attribute) (rxn_network.jobs.schema.EnumeratorTaskDocument attribute) (rxn_network.jobs.schema.NetworkTaskDocument attribute) (rxn_network.jobs.schema.PathwaySolverTaskDocument attribute)

temp (rxn_network.entries.corrections.CarbonDioxideAtmosphericCorrection property) (rxn_network.jobs.schema.CompetitionTaskDocument attribute) temperature (rxn_network.entries.entry_set.GibbsEntrySet property) (rxn_network.entries.experimental.ExperimentalReferenceEntry property) to_dataframe() (rxn_network.reactions.reaction_set.ReactionSet method) to_grand_entry() (rxn_network.entries.experimental.ExperimentalReferenceEntry method) (rxn_network.entries.gibbs.GibbsComputedEntry method) (rxn_network.entries.interpolated.InterpolatedEntry method) to_iterator() (in module rxn_network.utils.ray) total_chemical_system (rxn_network.reactions.open.OpenComputedReaction property) total_cost (rxn_network.pathways.basic.BasicPathway property)

U

unique_id (rxn_network.entries.experimental.ExperimentalReferenceEntry property) (rxn_network.entries.gibbs.GibbsComputedEntry property) (rxn_network.entries.interpolated.InterpolatedEntry property)

unstable_reactions (rxn_network.reactions.hull.InterfaceReactionHull property) update() (rxn_network.entries.entry_set.GibbsEntrySet method) use_basic_enumerator (rxn_network.jobs.schema.PathwaySolverTaskDocument attribute) use_minimize_enumerator (rxn_network.jobs.schema.PathwaySolverTaskDocument attribute)

W

WeightedSum (class in rxn_network.costs.functions)

Y

yens_ksp() (in module rxn_network.network.network)