My Project

This project aims to predict the properties of Deep Eutectic Solvents (DESs) using CET model.

Installation

1. Clone the repository:

   git clone https://github.com/your_username/my_project.git

2. Navigate to the project directory:

   cd my_project

3. Install the required dependencies:

   pip install -r requirements.txt

Usage

To run the main script, use the following command:

python main.py --model chemberta

You can also choose to use the K-BERT model:

python main.py --model kbert

Example

Here is an example of how to use the project:

1. Ensure you have the necessary data file (e.g., compound_data.xlsx) in the appropriate path.
2. Run the main script with the desired model:

   python main.py --model chemberta

   or

   python main.py --model kbert

This will preprocess the data, extract features using the chosen model, and evaluate the regression models.