8000 yukimya (Naoyuki Miyashita) / Starred · GitHub
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GromacsWrapper wraps system calls to GROMACS tools into thin Python classes (GROMACS 4.6.5 - 2024 supported).

Python 178 54 Updated Oct 7, 2024

[Outdated. Please use https://github.com/numba/numba-examples] Examples of NumbaPro in use.

Jupyter Notebook 171 93 Updated Aug 25, 2022

MDToolbox: A MATLAB/Octave toolbox for statistical analysis of molecular dynamics trajectories

MATLAB 25 16 Updated Dec 7, 2019

test spawn

Fortran 1 Updated Dec 28, 2011

test git hub

Perl 2 Updated Jan 18, 2013
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