Repositories list

• PySAGES

  Public
  Python Suite for Advanced General Ensemble Simulations

  pythonopenmmhacktoberfest+ 9enhanced-samplingasegpu-supportjaxcollective-variableshoomd-bluescientific-machine-learning+ 2

  Python

  •

  Other

  •26•74•16•10•Updated Oct 31, 2024Oct 31, 2024

• openmm-dlext

  Public
  Plugin for OpenMM providing simulation data wrappers as DLPack data structures

  enhanced-samplingopenmm-pluginmiccom+ 2pysagesopenmm

  C++

  •

  MIT License

  •4•2•3•0•Updated Oct 9, 2024Oct 9, 2024

• hoomd-dlext

  Public
  Wrapper for HOOMD-blue simulation data into DLPack data structures

  enhanced-samplingmiccompysages+ 2hoomd-blue-pluginhoomd-blue

  C++

  •

  MIT License

  •4•2•0•0•Updated Oct 3, 2024Oct 3, 2024

• lammps-dlext

  Public
  Wrapper for LAMMPS simulation data into DLPack data structures

  lammpsenhanced-samplinglammps-python-interface+ 2miccompysages

  C++

  •

  MIT License

  •1•1•0•1•Updated Aug 14, 2024Aug 14, 2024

• PySAGES-examples

  Public
  Repository that showcases examples of the use of PySAGES coupled to a number of MD engines

  Jupyter Notebook

  •2•2•4•3•Updated Feb 24, 2024Feb 24, 2024

• hoomd-dlext-feedstock

  Public
  A conda-smithy repository for hoomd-dlext.

  Shell

  •

  BSD 3-Clause "New" or "Revised" License

  •3•0•0•0•Updated Jan 30, 2023Jan 30, 2023

• staged-recipes

  Public
  A place to submit conda recipes before they become fully fledged conda-forge feedstocks

  Python

  •

  BSD 3-Clause "New" or "Revised" License

  •5k•0•0•0•Updated Nov 8, 2022Nov 8, 2022

• openmm-dlext-feedstock

  Public
  A conda-smithy repository for openmm-dlext.

  Shell

  •

  BSD 3-Clause "New" or "Revised" License

  •3•0•0•0•Updated Jun 30, 2022Jun 30, 2022