Transition-1x

The 'Transition1x' dataset is used to evaluate the generation of minimum energy pathways (MEPs) in chemical reactions, containing data that facilitates the assessment of reaction pathways and transition states.

Papers using Transition-1x (5)

Drift-React: One-step Generation of Reaction Pathways via SE(3) Drifting Fields2026How Accurate Are DFT Forces? Unexpectedly Large Uncertainties in Molecular Datasets2025 · 1 citesBeyond the Training Domain: Robust Generative Transition State Models for Unseen Chemistry2026Generating transition states of chemical reactions via distance-geometry-based flow matching2025Generative Model for Constructing Reaction Path from Initial to Final States2024