A Jupyter extensions that turns notebooks into web applications.
ananvodo/Potential-of-Mean-Force
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This is a program a plug-and-play program to create all files needed to calculate Potential of Mean Force in Gromacs (any gromacs version)
ananvodo/python-quality-threshold
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a python implementation of the quality threshold clustering algorithm of Heyer, 1999, specialized to molecular dynamics trajectories.
A Python package that implements various regression algorithms, including Partial Least Squares and Principal Components Regression
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