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colvars
colvars PublicForked from Colvars/colvars
Collective variables module for molecular simulation and analysis programs
C++
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examples
examples PublicForked from Allen-Tildesley/examples
Fortran and Python examples to accompany the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. Tildesley (2nd edition, Oxford University Press, 2017). Use the "Clone or downl…
Fortran
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awesome-jupyterlab
awesome-jupyterlab PublicForked from mauhai/awesome-jupyterlab
A curated list of awesome JupyterLab extensions and resources
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GridDataFormats
GridDataFormats PublicForked from MDAnalysis/GridDataFormats
GridDataFormats is a pure Python library to handle data on a regular grid using commonly used file formats in molecular simulations.
Python
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