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GWP-project

  • Website for predicting GWP and AL 👉 click
  • Prof. Chung: [email protected]
    Yang Changwon: [email protected] (DFT)
    Guobin Zhao: [email protected] (machine learning)
    Kim, Haewon: [email protected] (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

Machine learning

⭐ 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