RNADyn: A Benchmark for Generating and Understanding RNA Dynamics
Ribonucleic acid (RNA) functions through conformational changes that are not fully captured by static structures. However, large-scale standardized RNA dynamics data remain limited, and existing approaches typically treat trajectory generation and dynamics understanding as separate objectives. Here, we introduce RNADynBench, a standardized RNA molecular dynamics (MD) benchmark with 2585 quality-controlled 100-ns all-atom trajectories and leakage-controlled splits. Building on RNADynBench, we develop RNADynNet, a unified model for RNA dynamics learning that uses a shared backbone for both trajectory generation and dynamics fingerprint extraction from a single conformer. It combines coordin...
| Authors | Yiming Huang, Lennart Bastian, Hanqun Cao et al. |
|---|---|
| Primary category | cs.LG |
| Published | 2 October 2026 |
| Last updated at source | 2 October 2026 |
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