Supplementary data for "Development of a Deep Reinforcement Learning Approach for Transition State Search in Molecular Systems: A Transferable Model Across Structural and Dimensional Variations"

This dataset provides the supplementary data corresponding to Tables S6 and S7 in the Supporting Information of the article titled "Development of a Deep Reinforcement Learning Approach for Transition State Search in Molecular Systems: A Transferable Model Across Structural and Dimensional Variations". Table S6: Structural parameters and relative energies of the equilibrium structures (EQ) and transition states (TS) for 1,3,5,7-octatetraene. Table S7: Trajectory counts and the percentages reaching each TS region for Triene, categorized by the starting EQ.