Repositories list

• PQ

  Public
  C++

  •

  GNU General Public License v3.0

  •5•6•23•1•Updated Oct 9, 2024Oct 9, 2024

• PQEnalyzer

  Public
  Analyzation of Molecular Dynamic Trajectories - PQ

  visualizationmolecular-dynamics

  Python

  •

  MIT License

  •1•3•9•0•Updated Oct 3, 2024Oct 3, 2024

• PQAnalysis

  Public
  PQAnalysis is a API/CLI python package for the analysis of MD simulations

  molecular-dynamicsmaterial-sciencetheoretical-chemistry+ 1life-science

  Python

  •

  MIT License

  •2•4•13•3•Updated Sep 4, 2024Sep 4, 2024

• ThermoScreening

  Public
  Python

  •

  Other

  •0•3•4•0•Updated Aug 1, 2024Aug 1, 2024

• VibrationalAnalysis.jl

  Public
  Vibrational analysis on PQ output.

  computational-chemistrytheoretical-chemistry

  Julia

  •

  MIT License

  •0•2•1•0•Updated Jul 25, 2024Jul 25, 2024

• molarverse.github.io

  Public
  Sass

  •0•0•0•0•Updated Jan 21, 2024Jan 21, 2024