Repositories list

• NexusMD_py

  Public
  NexusMD: A Molecular Dynamics Simulation Package for Drug Discovery

  Python

  •0•0•0•0•Updated Sep 21, 2025Sep 21, 2025

• NexaBind

  Public
  NexaBind is the next generation MD simulation package equipped with modern free energy methods and novel sampling algorithms to support a range of scientific ap…

  Python

  •0•1•0•0•Updated Aug 24, 2025Aug 24, 2025

• SAMTI_data

  Public
  0•0•0•0•Updated Aug 5, 2025Aug 5, 2025

• timestep-choice

  Public
  timestep choice

  HTML

  •0•0•0•0•Updated May 22, 2025May 22, 2025

• Ambot

  Public
  AMBER Robot project

  Python

  •0•0•0•0•Updated Apr 24, 2025Apr 24, 2025

• NgFEP-assessment

  Public
  Jupyter Notebook

  •0•0•0•0•Updated May 16, 2024May 16, 2024

• CMake_SWIG_TEST

  Public
  C++

  •0•0•0•0•Updated Feb 1, 2024Feb 1, 2024

• SWIG_TEST

  Public
  C++

  •0•0•0•0•Updated Jan 31, 2024Jan 31, 2024