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minhx010 / pbprojection Goto Github PK
View Code? Open in Web Editor NEWThe Jupyter Notebooks contained here can be used to perform RETIS for AB and BA paths, respectively. In each of the code, you can also perform sampling checks, rate constant calculation, as well as pB projection. Additionally, the pBprojection*ipynb can be used to get the cumulative pB projection using both AB and BA paths.