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Using supervised machine learning to build collective variables for accelerated sampling
Using neural networks for enhanced sampling in computational biophysics
set of scripts to analyze kinases
Forked from msmbuilder/msmbuilder
sklearn-compatible mixture and hidden Markov models
Efficient sampling of protein mutants via transfer learning from the wild-type simulation
Enhanced protein mutational sampling using time-lagged variational autoencoders
82 contributions in the last year
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