MDSB — Molecular Dynamics Simulations of Biomolecules (placeholder pre-release).
Project description
MDSB
MDSB (Molecular Dynamics Simulations of Biomolecules) is a Python toolkit for molecular dynamics (MD) simulations, biomolecular modeling, and trajectory analysis.
This is an initial placeholder release to reserve the project name and provide a minimal, working CLI.
Roadmap: system setup, parameterization pipelines, simulation runners, and advanced analysis modules.
Install
pip install mdsb
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