LLMSpectroscopy

Automated spectroscopy analysis for the 2024 LLM Hackathon for Applications in Materials and Chemistry

Results

Final statistics on the dataset are stored in results.csv file

Setting up the Project

Follow these steps to set up the project on your local machine:

Prerequisites

• Python 3.x
• pip package manager

Installation

1. Clone the repository:

git clone https://github.com/ATOMSLab/LLMSpectroscopy.git

2. Navigate to the project directory:

cd LLMSpectroscopy

3. Create and activate a virtual environment :

python3 -m venv env
source env/bin/activate  

4. Install the required packages:

pip3 install -r requirements.txt

Downloading Datasets

To download the necessary datasets, run the following command:

python3 dataset.py

License

This project is licensed under the MIT License.