HelmholtzAI-FZJ/mdRNAcat
mdRNAcat: A Molecular Dynamics RNA Catalog of REST2 Conformational Ensembles This dataset comprises force-labelled, all-atom MD trajectories from 48 RNA systems. Simulations were performed using GROMACS and parameterized using the classical force field amber99sb*-ildn with parmbsc0 corrections and DESRES RNA parameters and a Replica Exchange with Solute Tempering 2 (REST2) scheme with 32 replica per system from 300 to 500 K. Analysis and Machine-Readable Metadata… See the full description on the dataset page: https://huggingface.co/datasets/HelmholtzAI-FZJ/mdRNAcat.
| Author / organization | HelmholtzAI-FZJ |
|---|---|
| License (as declared) | cc-by-4.0 |
| Downloads | 0 (as reported by Hugging Face) |
| Likes | 1 |
| Created | 23 October 2026 |
| Last updated at source | 23 October 2026 |
Recent changes
- 23 Oct 2026 Description: mdRNAcat: A Molecular Dynamics RNA Catalog of REST2 Conformational Ensembles This dataset comprises force-labelled, all-atom MD trajectories from 48 RNA systems. Simulations were performed using GROMACS and parameterized using the classical → mdRNAcat: A Molecular Dynamics RNA Catalog of REST2 Conformational Ensembles This dataset comprises force-labelled, all-atom MD trajectories from 48 RNA systems. Simulations were performed using GROMACS and parameterized using the classical
- 23 Oct 2026 License: none → cc-by-4.0
- 23 Oct 2026 Description: none → mdRNAcat: A Molecular Dynamics RNA Catalog of REST2 Conformational Ensembles This dataset comprises force-labelled, all-atom MD trajectories from 48 RNA systems. Simulations were performed using GROMACS and parameterized using the classical
- 23 Oct 2026 Topics added RNA, biology, chemistry, biophysics, atomic-forces, molecular-dynamics, enhanced-sampling, REST2, coarse-graining, force-matching
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