The SynCry framework was developed by Prof. Yousung Jung's group at Seoul National University
(contact: yousung@gmail.com)
This code is used for redesigning infeasible inorganic crystal structures into synthesizable compounds using LLM.
Feel free to reach out to Jaehwan Choi and Dr.Seongmin Kim for any other technical solutions: jaehwan.micc@gmail.com, smkim.micc@gmail.com
You can start the first step of the entire framework by downloading the zip files from this link. https://zenodo.org/records/14614258
The test_set is used for the overall framework, including structural modification and chemical analysis.
The train_set and val_set are used for constructing SynCry-GPT during the fine-tuning process.
A publication appears on the Journal of the American Chemical Society as doi:10.1021/jacs.5c07743