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Allow user to change optimizer and objective function. Also added r-squared evaluator. Changed temp file location to user temp folder. Added a prediction dictionary to access the values predicted by model.

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titusquah
2020-06-05 14:20:59 -06:00
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README.md
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# parameter-estimation
# REEPS
REEPS is a toolkit for estimating standard thermodynamic parameters for Gibbs minimization.
Extend a methodology for estimating standard thermodynamic parameters for Gibbs minimization in multiphase, multicomponent separations systems
Extend a methodology for estimating standard thermodynamic parameters for Gibbs minimization in multiphase, multicomponent separations systems
## Installation
To install REEPS, clone the repository with the command
```
$ git clone https://xgitlab.cels.anl.gov/summer-2020/parameter-estimation.git
```
Navigate into the parameter-estimation folder with
```
cd parameter-estimation
```
and run the command below in your terminal
```
$ pip install -e.
```
### Dependencies
REEPS uses packages: cantera (https://cantera.org/), pandas, numpy, scipy, xml, seaborn, and matplotlib
## Usage
Do random stuff and pray.