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Update README.md
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johnstewartepfl authored May 29, 2024
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Expand Up @@ -26,7 +26,21 @@ The Chemical Equation Balancer is a Python program that balances chemical reacti

## Installation

Ensure you have the required dependencies installed: NumPy, RDKit, and PuLP, PIL, rxnmapper, IPython, request and Rxn-INSIGHT.
Before installing any of the required dependencies, it is recommended that you create and activate an environment to do this in as to avoid any potential conflicts.
1. Clone this repository and navigate to it:
```
git clone https://github.com/Albericvgn/ChemBalancer
cd ChemBalancer
```
2. Create a conda environment.
```
conda create -n your_env_name python=3.10
```
3. Activate this environment.
```
conda activate your_env_name
```
Now that the environment is activated, the dependencies required for the code must be installed.
1. Installing NumPy:
```
pip install numpy
Expand Down Expand Up @@ -75,13 +89,14 @@ git clone https://github.com/schwallergroup/Rxn-INSIGHT.git
cd Rxn-INSIGHT
pip install .
```

For more details on the installation of this package, you can click on the following link: https://github.com/schwallergroup/Rxn-INSIGHT

## Usage

1. Clone this repository and navigate to it:
1. Activate the environment and navigate to ChemBalancer:
```
git clone https://github.com/Albericvgn/ChemBalancer
conda activate your_env_name
cd ChemBalancer
```

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