Crate enzymeml

Crate enzymeml 

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EnzymeML Rust Library

This library provides functionality for working with EnzymeML documents, including:

  • Simulating enzyme kinetics through ODE systems
  • Optimizing kinetic parameters
  • Bayesian parameter estimation
  • Profile likelihood computation
  • Identifiability analysis
  • Language model integration
  • SBML format reading and writing
  • Tabular data handling
  • Plotting and visualization
  • Validating EnzymeML documents

Modules§

bindings
Language bindings and interfaces for other programming environments
conversion
Conversion functionality Conversion traits and functions for measurement data.
equation
Core equation handling and manipulation
identifiability
Parameter identifiability analysis and profile likelihood computation
info
[Display] implementation for the EnzymeML library Information display module for EnzymeML documents
io
IO functionality
llm
Language model integration for automated EnzymeML document generation and analysis LLM integration module for EnzymeML document generation
macros
Procedural and helper macros
mcmc
Markov Chain Monte Carlo sampling for Bayesian parameter estimation
objective
Objective function definitions and loss calculations for optimization
optim
Optimization algorithms and parameter estimation for enzyme kinetics
plotting
Plotting and visualization functionality
prelude
Commonly used types and functionality re-exported for convenience
simulation
Simulation functionality for enzyme kinetics
suite
EnzymeML Suite EnzymeML Suite integration module
system
ODE functionality used to derive the system of ODEs from the EnzymeML reactions ODE System Generation for EnzymeML Documents
tabular
Tabular data handling
utils
Utility functions
validation
Validation of EnzymeML documents and components
versions
EnzymeML version management and schema definitions

Macros§

build_base_unit
Helper macro to create a single BaseUnit from prefix and unit tokens
build_reaction
build_unit_name
Helper macro to build unit name from prefix/unit pairs
collect_base_units
Helper macro to collect base units with specified exponent
create_stoich_eq_jit
extract_all
extract_all is a macro that allows for the extraction of nested fields from a struct. It supports accessing single fields, nested fields, and elements within vectors.
inverse_unit
Macro for creating inverse units (1 / unit)
ratio_unit
Macro for creating ratio units (numerator / denominator)
simple_unit
Macro for creating simple units
unit
Main unit macro that delegates to appropriate sub-macros
unwrap_enum
unwrap_list