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choderalab
pymbar

Python implementation of the multistate Bennett acceptance ratio (MBAR)

46K 298 99
markovmodel
pyemma

🚂 Python API for Emma's Markov Model Algorithms 🚂

3K 339 126
shirtsgroup
foldamers

Tools to model folding and evaluate thermodynamic properties for polymers and oligomers

194 1 3
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