Published November 3, 2025
| Version v1.0.0
Software
Open
FastMDAnalysis: Software for Automated Analysis of Molecular Dynamics Trajectories
Authors/Creators
- 1. AAi Research Lab, California State University Dominguez Hills
- 2. Biophysics Program, California State University Dominguez Hills
- 3. Department of Physics, California State University Dominguez Hills
Description
FastMDAnalysis v1.0.0 — Software for Automated Analysis of Molecular Dynamics Trajectories
- Go from MD trajectory data to a presentation slide deck in one line of code.
- It's designed to improve workflow efficiency, usability, and reproducibility.
- Perform complex molecular dynamics analyses with intuitive, single-line commands
- Automatically generate publication-quality figures with customizable styling for immediate use
- Seamlessly switch between Python API for advanced workflows and CLI for rapid batch processing
- Scalable workflows that handle everything from quick exploratory analysis to large-scale production runs
Notes
If you use this software in your work, please cite:
Aina, A. and Kwan, D. (2025) “FastMDAnalysis: Software for Automated Analysis of Molecular Dynamics Trajectories”. Zenodo. https://doi.org/10.5281/zenodo.17510591
Files
aai-research-lab/FastMDAnalysis-v1.0.0.zip
Files
(16.7 MB)
| Name | Size | Download all |
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md5:988d2a5d5de343a5e15d553fc9317632
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16.7 MB | Preview Download |
Additional details
Related works
- Is supplement to
- Software: https://github.com/aai-research-lab/FastMDAnalysis/tree/v1.0.0 (URL)
Software
- Repository URL
- https://github.com/aai-research-lab/FastMDAnalysis
- Programming language
- Python
- Development Status
- Active