ResearchBenchmarksStructure-to-Trajectory Prediction on Revised MD17Structure-to-Trajectory Prediction on Revised MD17Follow8.38Azobenzene DeviationATOM8.37488.40998.4458.4801Oct 7, 2025Evaluation resultsMethodMethodLinksAzobenzene DeviationEthanol DeviationMalonaldehyde DeviationNaphthalene DeviationParacetamol DeviationSalicylic DeviationToluene DeviationUracil DeviationATOMsampling=final frame,...sampling=final frame, learning=single-task2025.108.3823.940.671.3630.031.0428.580.85EGNOsampling=final frame,...sampling=final frame, learning=single-task2025.108.5123.6140.321.4228.011.0728.230.87