Expand description
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_allis 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