Line Plot from Scientific Research

Deterministic inference with React-OT. Both the reactant and product are unchanged throughout the entire process from t = 0 to t = T. The linear interpolation of reactant and product is provided as the initial guess structure at t = 0, followed by optimal (that is, linear) transport to the final TS. Atoms are coloured as follows: C, grey; N, blue; O, red; H, white.

DOI