Repositories list

• enspara

  Public
  Modeling molecular ensembles with scalable data structures and parallel computing

  pythonclusteringprotein-structure+ 5molecular-dynamicsmarkov-state-modelbiophysicskinetic-modelingmolecular-modeling

  Python

  •

  GNU General Public License v3.0

  •16•34•17•7•Updated Feb 6, 2025Feb 6, 2025

• PopShift

  Public
  Python

  •

  GNU General Public License v2.0

  •4•7•2•0•Updated Dec 13, 2024Dec 13, 2024

• fast

  Public
  Python

  •

  GNU Lesser General Public License v2.1

  •10•14•0•1•Updated Jul 26, 2024Jul 26, 2024

• popshift-ms-data

  Public
  Repository containing data for the initial PopShift manuscript with T4 Lysozyme L99A.

  Apache License 2.0

  •0•2•0•0•Updated Jan 12, 2024Jan 12, 2024

• blebbistatin-specificity

  Public
  Code and data for blebbistatin specificity manuscript

  Jupyter Notebook

  •

  MIT License

  •0•0•0•0•Updated Oct 12, 2022Oct 12, 2022

• time-from-biased-simulations-tools

  Public
  Simple tools for obtaining time from biased molecular dynamics simulations

  Python

  •

  MIT License

  •4•0•0•0•Updated Oct 14, 2021Oct 14, 2021

• diffnets

  Public
  Self-supervised neural nets to understand protein mutations

  Python

  •

  GNU Lesser General Public License v3.0

  •11•38•3•0•Updated Jul 13, 2021Jul 13, 2021