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mmvt_seekr
mmvt_seekr PublicMMVT SEEKR is a multiscale simulation approach for calculating ligand binding kinetics
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seekr
seekr PublicForked from lvotapka/seekr
Simulation-Enabled Estimation of Kinetic Rates (SEEKR): a suite of open-source scripts and tools designed to enable researchers to perform multiscale computation of the kinetics of molecular bindin…
Python
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locked_analysis
locked_analysis Publicscripts to analyze transitions between milestones on two overlapping sites
Python
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benchmarksets
benchmarksets PublicForked from MobleyLab/benchmarksets
Benchmark sets for binding free energy calculations: Perpetual review paper, discussion, datasets, and standards
TeX
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