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Pinned repositories

  1. SML_CV

    Using supervised machine learning to build collective variables for accelerated sampling

    Jupyter Notebook 8

  2. tf_metadynamics

    Using neural networks for enhanced sampling in computational biophysics

    Jupyter Notebook 5 1

  3. kinase_msm

    set of scripts to analyze kinases

    Python 2 3

  4. msmbuilder

    Forked from msmbuilder/msmbuilder

    sklearn-compatible mixture and hidden Markov models


  5. tica_metadynamics

    Efficient sampling of protein mutants via transfer learning from the wild-type simulation

    Python 1 1

  6. vde_metadynamics

    Enhanced protein mutational sampling using time-lagged variational autoencoders

    Python 12 2

82 contributions in the last year

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Contribution activity

October 2018

msultan has no activity yet for this period.

September 2018

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