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    10 repositories

    • car_mptp

      Public
      Repo for "Identifying Most Probable Transition Path with Constant Advance Replicas".
      Jupyter Notebook
      •
      GNU Affero General Public License v3.0
      •1•0•0•0•Updated Dec 27, 2024Dec 27, 2024

    • car_path

      Public
      Repo for "Constant Advance Replicas Method for Locating Minimum Energy Paths and Transition States"
      Jupyter Notebook
      •1•0•0•0•Updated Nov 7, 2024Nov 7, 2024

    • openmm_deepmd_plugin

      Public
      C++
      •5•20•4•1•Updated Aug 27, 2024Aug 27, 2024

    • SWIT

      Public
      Python
      •
      MIT License
      •5•10•0•0•Updated Jul 1, 2024Jul 1, 2024

    • topoLink

      Public
      Python
      •
      GNU General Public License v3.0
      •0•4•0•0•Updated Apr 17, 2024Apr 17, 2024

    • AFEXplorer

      Public
      Python
      •
      Apache License 2.0
      •4•16•0•0•Updated Oct 30, 2023Oct 30, 2023

    • gcbgcmc

      Public
      A C++ implemention of grid cavity bias GCMC interface with CHARMM.
      C++
      •
      GNU General Public License v3.0
      •0•0•0•0•Updated Aug 15, 2023Aug 15, 2023

    • IOMemP

      Public
      Python
      •0•0•0•0•Updated Aug 8, 2023Aug 8, 2023

    • EViS

      Public
      EViS: an Enhanced Virtual Screening Approach based on Pocket Ligand Similarity
      GNU General Public License v3.0
      •5•13•0•0•Updated Dec 7, 2021Dec 7, 2021

    • SLCFold

      Public
      Python
      •
      GNU General Public License v3.0
      •0•1•0•0•Updated Sep 7, 2021Sep 7, 2021