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Top 3 mdanalysis open source projects

Fast and accurate aerodynamic modelling using general numerical lifting-line theory.

✭ 42

python mdanalysis aerodynamics lifting-line-theory flight-mechanics

Jupyter Dock is a set of Jupyter Notebooks for performing molecular docking protocols interactively, as well as visualizing, converting file formats and analyzing the results.

✭ 179

Jupyter Notebook cheminformatics protein-structure jupyter-notebook computational-biology protein drug-discovery drug-repurposing rdkit openbabel drug-design mdanalysis autodock ledock molecular-docking autodock-vina py3dmol

membrane-curvature

MDAnalysis tool to calculate membrane curvature.

✭ 19

python shell molecular-dynamics-simulation trajectory-analysis mdanalysis

1-3 of 3 mdanalysis projects