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.
DOI: 10.1063/5.0155617
PMID: 37490627
PMCID: PMC10375467
Funding: - Army Research Office: W911NF-17-1-0247
- National Institute of General Medical Sciences: R01GM143556
Documentation
User manual
https://marohn-group.github.io/mmodel-docs/