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updates
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fixed environment config and updated readme
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AG committed Sep 17, 2023
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7 changes: 5 additions & 2 deletions README.md
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Expand Up @@ -4,9 +4,12 @@ Supporting code for Bayesian Transporter research - still under development.


### Usage:
for MLE use `run_optimizer.py`, for Bayesian use `run_emcee.py` or `run_pocomc.py`\
create an environment with required packages/dependencies using `conda env create -f environment.yml` \

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\

create an environment with required packages/dependencies using `conda env create -f environment.yml`

### Limitations / issues
- parallelization issues with libroadrunner. see: https://github.com/sys-bio/tellurium/issues/563
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1 change: 0 additions & 1 deletion environment.yml
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Expand Up @@ -128,7 +128,6 @@ dependencies:
- zipp=3.15.0=pyhd8ed1ab_0
- zstd=1.5.2=hbc0c0cd_6
- pip:
- amici==0.16.1
- antimony==2.13.2
- appdirs==1.4.4
- attrs==22.2.0
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