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In this paper https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00344, they summarized the performance of the model in Table 1. I would like to ask how I can reproduce it using your library. Is it possible to guide me to functions or provide me with a short script to compute the accuracy of atom mapping generated by this tool? What function in the code computes the accuracy as reported in the paper?
In this paper https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c00344, they summarized the performance of the model in Table 1. I would like to ask how I can reproduce it using your library. Is it possible to guide me to functions or provide me with a short script to compute the accuracy of atom mapping generated by this tool? What function in the code computes the accuracy as reported in the paper?
Thanks in advance