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Conditional Generation of Atom Trajectories research benchmarks · SOTA2 Research

Conditional Generation of Atom Trajectories

Benchmarks

Dataset NameSOTA MethodSort

Dataset NameSOTA methodMetricTrendResultsLast Updated

MD17 Uracil (test)

0.05ADE

9

May 28, 2026

MD17 Toluene (test)

0.036ADE

9

May 28, 2026

MD17 Salicylic (test)

0.041ADE

9

May 28, 2026

MD17 Naphthalene (test)

0.025Average Displacement Error (ADE)

9

May 28, 2026

MD17 Malonaldehyde (test)

0.051Average Displacement Error (ADE)

9

May 28, 2026

MD17 Ethanol (test)

STFlow-Transformer

0.05ADE

9

May 28, 2026

MD17 Benzene (test)

0.011ADE

9

May 28, 2026

MD17 Aspirin (test)

0.059ADE

9

May 28, 2026

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