Andrey V. Romanyuk's repositories

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PolyPDB

This script makes correct PDB files for synthetic polymers based on GROMACS topology files. The output PDB files can be used for MD simulations in GROMACS and other software,

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PyKinet

This script is used to fit the model by Ballauf et al. (https://doi.org/10.1021/jp101125j) to the kinetics data for 4-nitrophenol reduction with sodium borohydride catalyzed by metal nanoparticles

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Stepper_motor_v3_shift_register_sum_of_bytes

Stepper_motor_v3_shift_register_sum_of_bytes

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