Nearl: extracting dynamic features from molecular dynamics trajectories for machine learning tasks
The source code of Nearl is hosted at https://github.com/miemiemmmm/Nearl and archived at https://doi.org/10.5281/zenodo.15320286. The documentation is hosted on ReadTheDocs at https://nearl.readthedocs.io/en/latest/. All pre-built models are implemented in PyTorch and available on GitHub.
Authors
- Andreas Vitalis (ORCID: https://orcid.org/0000-0002-5422-5278)
- Yang Zhang (ORCID: https://orcid.org/0000-0003-0801-8064)
Institutions
- University of Zurich (CH)
Publication Details
- Journal
- Bioinformatics
- Published
- 2025-05-29
- DOI
- https://doi.org/10.1093/bioinformatics/btaf321
- Citations
- 2
- Primary Topic
- Protein Structure and Dynamics
- Type
- article
- Field-Weighted Citation Impact
- 1.61
Funders
- National Science Foundation
- Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung