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UWPRG / plumitas

A Python package to improve the accessibility and reproducibility of enhanced sampling simulations
MIT License
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plumitas

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Plumitas is a pythonic package for analysis and visualization of the output files from molecular dynamics (MD) performed with the open source enhanced sampling package Plumed. This package is developed and maintained by the Pfaendtner Research Group in the Department of Chemical Engineering at the University of Washington, Seattle. We have developed this package to improve the consistency and speed of our own research, but we hope it will aid other researchers in performing efficient, transparent research. More info about using and contributing to this project to come...

Immediately significant information:

API

Checkout our documentation here for help getting started with the plumitas API!