Supplementary data

Supplementary data for the paper "Predicting Enantioselectivity via Kinetic Simulations on Gigantic Reaction Path Networks" The contents of the file are listed below. rcmconly_EQ_popl.rrm_1 contains reaction yield for each EQ.rcmconly_kINP.rrm_1 contains the free energy for each EQ.rcmconly_sim.log_1 contains the traffic volume for each EQ.rcmconly_PARAM.rrm contains the parameters for the kinetic simulation.repath_EQ_list.log contains all EQ geometries and the corresponding energy and eigenvalues.repath_PT_list.log contains all TS geometries and the corresponding energy and eigenvalues. This study was funded by the Japan Science and Technology Agency (JST) (ERATO Grant Numbers JPMJER1903), JSPS-WPI, and JST-FOREST (Y.H. JPMJFR2221), JSPS KAKENHI Grant Numbers JP24H02219 (M.G.) in Transformative Research Areas (A) JP24A202 Integrated Science of Synthesis by Chemical Structure Reprogramming (SReP), KAKENHI (Grant-in-Aid for Transformative Research Areas (B), grant number JP23H03808), JSPS KAKENHI with grant number JP25H00423 (R.S., Y.H., A.V., and S.M.).