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Jupyter_dock ⭐ 215

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.

Workshopprace2021 ⭐ 15

Materials for the 2021 PRACE Workshop @ SurfSARA

Pydiffusion ⭐ 10

Analyse Rotational Diffusion Tensor from MD Simulations

Mdanalysistutorial ⭐ 9

Tutorial for MDAnalysis.

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