- 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
gkxiao / gas Goto Github PK
View Code? Open in Web Editor NEWdata set, scripts and documnets about SF6 replacement projects