- Website for predicting GWP and AL 👉 click
- Prof. Chung: drygchung@gmail.com
Yang Changwon: sht_ycw79@pusan.ac.kr (DFT)
Guobin Zhao: sxmzhaogb@gmail.com (machine learning)
Kim, Haewon: haewon0673@naver.com (make figure,machine learning, DFT) - cite as: G. Zhao, H. Kim, C. Ynag, Y. G. Chung. Leveraging Machine Learning to Predict the Atmospheric Lifetime and the Global Warming Potential (GWP) of SF6 Replacement Gases. DOI: 10.1021/acs.jpca.3c07339 👉 click
⭐ trainer: codes, notebook, dataset, models used for machine learning training
⭐ predicter: codes, notebook, example dataset, models used for predicting
⭐ pre-trainer: codes, notebook, dataset for pretarin and get top 10 features from 214 features (211 from RDKit,3 from DFT)
⭐ final-predicter: codes, notebook, example dataset, models used for predicting using final best models.
download from zenodo
Group: Molecular Thermodynamics & Advance Processes Laboratory