- GWP_QM_DFT.zip: Gaussian calculation input files
- RF_GWP100_Classification_2019.xlsx: GWP prediction data set including structure, descriptors and prediction results
- rfgwp.zip: python script and juypter notebook to calculate GWP.
- GWPclass Server: use random forest classification model to predict the value of GWP for gas molecule. http://sf6.molcalx.com.cn
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data set, scripts and documnets about SF6 replacement projects
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