This project is designed to work with Multimodal-Spectroscopic-Dataset. It requires a specific conda environment and data files to run properly.
Clone the repository or download the project files by running
git clone https://github.com/rxn4chemistry/multimodal-spectroscopic-dataset.git
Open a terminal or command prompt and navigate to the project directory. Create a new conda environment named multispecdata with the required dependencies:
conda create -n multispecdata python=3.10
activate the created conda enviroment and insall the required dependencies
conda activate multispecdata
pip install -r requirements.txt
The project requires specific data files to run. You can download the data from the following link: https://zenodo.org/records/11611178
Extract the downloaded ZIP file into the project directory in the data folder. Running the Project After activating the multispecdata environment and downloading the data, you can run the the benchmark models with the following command:
run_transformer.sh
run_cnn.sh
run_xgboost.shCite our work as followes:
Bibtex is Coming