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Supporting code for Bayesian Transporter research - still under development.


### Usage:
create an environment with required packages/dependencies using `conda env create -f environment.yml` \
### Getting started:
- create an environment with required packages/dependencies using `conda env create -f environment.yml`
- run through the `example_notebook.ipynb` notebook for example usage and analysis
- - ensure that the filepaths are correctly set for your system in the configuration file `...config.yaml` configuration file.

to run the provided example, update the filepaths in the `...config.yaml` file, and update the `...config.yaml` file path in `run_optimizer.py`, `run_emcee.py` and `run_pocomc.py`as needed.

for MLE with Scipy Optimization use `python YOUR_PATH_HERE/run_optimizer.py`, for Bayesian use `python YOUR_PATH_HERE/run_emcee.py` or `python YOUR_PATH_HERE/run_pocomc.py` to use the EMCEE or PocoMC packages respectively\
### Stand alone usage
- For Bayesian inference using EMCEE run `python YOUR_PATH_HERE/run_emcee.py` in a terminal
- For Bayesian inference using PocoMC run `python YOUR_PATH_HERE/run_pocomc.py` in a terminal
- For Maximum Likelihood Estimation using Scipy Optimization run `python YOUR_PATH_HERE/run_optimizer.py.py` in a terminal
Ensure that the configuration file and file path is updated for each module as needed


### Limitations / issues
- parallelization issues with libroadrunner. see: https://github.com/sys-bio/tellurium/issues/563
- pocoMC sampler bugs, use my fork with fix. see: https://github.com/minaskar/pocomc/issues/22 and my fork: https://github.com/augeorge/pocomc

### Docs:
More detailed API documentation is provided below:
- https://zuckermanlab.github.io/Bayesian_Transporter/

August George, 2023

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