mmodel

mmodel accelerates development of experimental simulations by representing experimental procedures as graph-structured models and automatically generating executable Python code that supports systematic parameter looping.


Key Features:

  • Graph-Theoretical Approach: Represents experimental steps as graph structures to enable structured representation and modification of simulation workflows.
  • Automated Code Generation: Translates graph-defined procedures into executable Python code and can rewrite its own code to integrate algorithm updates and protocol changes.
  • Parameter Looping: Incorporates parameter loops directly into generated code to enable systematic variation of simulation parameters.
  • Efficiency and Readability: Reduces code duplication and produces readable code to improve testability and reliability of simulation packages.
  • Reduced Development Time: Decreases the time required to develop simulation code, allowing researchers to focus on analysis and interpretation.

Scientific Applications:

  • Bioinformatics: Supports development of experimental simulations used in bioinformatics studies.
  • Systems Biology: Facilitates construction and iteration of simulation packages for systems biology models.
  • Computational Modeling in other disciplines: Enables rapid development and iteration of simulation workflows in scientific fields that rely on computational modeling.

Methodology:

Maps experimental procedures using graph theory and translates those graph representations into executable Python code, including automated code rewriting and incorporation of parameter loops.

Topics

Details

Cost:
Free of charge
Tool Type:
workflow
Programming Languages:
Python
Added:
1/2/2024
Last Updated:
11/24/2024

Operations

Publications

Sun P, Marohn JA. mmodel: A workflow framework to accelerate the development of experimental simulations. The Journal of Chemical Physics. 2023;159(4). doi:10.1063/5.0155617. PMID:37490627. PMCID:PMC10375467.

PMID: 37490627
Funding: - Army Research Office: W911NF-17-1-0247 - National Institute of General Medical Sciences: R01GM143556

Documentation