Alternatives and similar repositories for PHAS3226:

Users that are interested in PHAS3226 are comparing it to the libraries listed below

• i-pi / pimd-mooc
  Interactive tutorials for the PIMD Massive Open Online Course
  ☆21Updated last year
• Allen-Tildesley / data
  Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…
  ☆15Updated 7 years ago
• Psi4Education / psi4education
  Psi4Education Labs Public Repository. If you are submitting a new lab, please submit it to the psi4education-instructor repo.
  ☆48Updated 2 years ago
• lcmd-epfl / cell2mol
  ☆26Updated 3 weeks ago
• mholmboe / atom
  Atomistic Topology Operations in Matlab, scripts for manipulation of molecular dynamics or monte carlo simulation systems
  ☆19Updated last month
• jochym / abinitio-methods
  Lecture materials for: Ab initio methods in solid state physics.
  ☆21Updated last month
• fevangelista / vmd_cube
  A Python script for rendering cube files generated by Psi4
  ☆16Updated 3 weeks ago
• compchem-cybertraining / Tutorials_Libra
  Tutorials showcasing various capabilities of Libra
  ☆21Updated 5 months ago
• bio-phys / cnt-martini
  Generates Martini models for open carbon nanotubes to use with Gromacs.
  ☆13Updated 3 years ago
• PabloPiaggi / EnvironmentFinder
  Tool for finding atomic environments in crystal structures
  ☆21Updated 6 months ago
• CSIprinceton / workshop-july-2022
  Deep Modeling for Molecular Simulation, two-day virtual workshop, July 7-8, 2022
  ☆50Updated 2 years ago
• ferchault / APDFT
  APDFT calculates quantumchemical results for many molecules at once.
  ☆14Updated last year
• lanl / NEXMD
  ☆27Updated last year
• i-pi / tutorials-schools
  ☆16Updated 3 years ago
• smutao / PyVibMS
  A PyMOL plugin for visualizing vibrations in molecules and solids
  ☆41Updated 4 months ago
• mssm-labmmol / pypolybuilder
  ☆27Updated 2 years ago
• ltalirz / atomistic-software
  Tracking citations of atomistic simulation engines
  ☆19Updated this week
• grimme-lab / std2
  std2 program for computing excited states and response functions via simplified TD-DFT methods (sTDA, sTD-DFT, SF-sTD-DFT, XsTDA, XsTD-DF…
  ☆35Updated 3 weeks ago
• grimme-lab / DRACO
  Dynamic Radii Adjustment for COntinuum Solvation
  ☆12Updated 2 weeks ago
• JFurness1 / EnergyLeveller
  A python script to plot an energy level diagram from an input file.
  ☆27Updated 4 years ago
• atomisticnet / xas-tools
  Tools related to X-ray absorption spectroscopy (XAS)
  ☆18Updated 6 months ago
• ajz34 / PyCrawfordProgProj
  Crawford's Quantum Chemistry Exercises by Python approach
  ☆29Updated 2 years ago
• shivupa / QMMM_study_group
  QM/MM Study Group
  ☆13Updated 6 years ago
• paesanilab / MB-Fit
  ☆18Updated last year
• MaterSim / CMS
  Some ongoing projects in Zhu's group
  ☆27Updated 10 months ago
• evangelistalab / fortecubeview
  A simple cube file viewer based on pythreejs
  ☆24Updated last year
• dralgroup / MLinQCbook22
  ☆25Updated 2 years ago
• eljost / thermoanalysis
  Stand-alone thermochemistry in python for ORCA and Gaussian.
  ☆30Updated 3 months ago
• CrawfordGroup / lml
  Learning Machine Learning
  ☆15Updated last year
• funkymunkycool / Cube-Toolz
  Python tool to manipulate Gaussian cube files
  ☆40Updated last year