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v1.0.0

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@ainaadekunle ainaadekunle released this 03 Nov 07:07
· 1529 commits to main since this release
v1.0.0
5c83585

DOI: https://doi.org/10.5281/zenodo.17510592
First stable release of FastMDAnalysis

  • Command-line workflow: `fastmda analyze --traj --top --include rmsd rg cluster
  • Core analyses: RMSD, Rg, RMSF, hydrogen bonds, secondary structure, SASA, clustering, dimensionality reduction.
  • Publication-quality figure generation. Automatic slide generation.
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