mbar
Here are 6 public repositories matching this topic...
🚂 Python API for Emma's Markov Model Algorithms 🚂
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Sep 11, 2023 - Python
Python implementation of the multistate Bennett acceptance ratio (MBAR)
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Sep 30, 2024 - Python
A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations
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Feb 20, 2023 - Python
Binless weighted histogram analysis method (WHAM) aka multi-state Bennet acceptance ratio (MBAR) with the ability to combine umbrella sampling simulations with different restraints and project onto reaction coordinates other than ones sampled at
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Jun 27, 2018 - Python
Tools to model folding and evaluate thermodynamic properties for polymers and oligomers
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Jul 30, 2020 - Python
Perform MBAR calculations to determine potential of mean force profile
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Oct 20, 2019 - Python
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