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Umbrella Sampling Python Packages

Python packages with the GitHub topic umbrella-sampling. Sorted by monthly downloads, with stars and forks.
markovmodel
pyemma

🚂 Python API for Emma's Markov Model Algorithms 🚂

2K 340 130
kuroonai
cowboe

Construction of windows based on free energy. This module has the "cowboe" algorithm which can be used for parameter selection with umbrella sampling.

457 3 0
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