Alternatives and similar repositories for MESS

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

• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆68Updated 3 weeks ago
• cp2k / cp2k-output-tools
  Python tools to handle CP2K output files
  ☆39Updated last week
• fenggo / I-ReaxFF
  I-ReaxFF: stand for Intelligent-Reactive Force Field
  ☆33Updated this week
• SINGROUP / pycp2k
  Python Cp2k interface
  ☆95Updated 3 years ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆62Updated 10 months ago
• smutao / PyVibMS
  A PyMOL plugin for visualizing vibrations in molecules and solids
  ☆42Updated 8 months ago
• PabloPiaggi / Crystallization-of-Silicon
  Tutorial: Crystallization of silicon using enhanced sampling simulations
  ☆18Updated last year
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆39Updated last week
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆36Updated 3 weeks ago
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆80Updated last year
• dev-zero / cp2k-tools
  DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input
  ☆26Updated 6 years ago
• omoultosEthTuDelft / OCTP
  On-the-fly calculation of Transport Properties
  ☆26Updated 2 years ago
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆52Updated 3 years ago
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆50Updated last year
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆19Updated 8 years ago
• by-student-2017 / lammps_education_reaxff_win
  ☆38Updated 4 months ago
• thomasunderwood / ClayFF
  A GROMACS implementation of the ClayFF force field
  ☆36Updated 2 years ago
• cp2k / cp2k-input-tools
  Fully validating pure-python CP2K input file tools including preprocessing capabilities
  ☆53Updated 2 weeks ago
• dadaoqiuzhi / RMD_Digging
  RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…
  ☆42Updated 2 weeks ago
• zhangylch / REANN
  ☆59Updated 6 months ago
• gaox-qd / pysoc
  PySOC: python+fortran, spin-orbit coupling, LR-TD-DFT, TDA, TD-DFTB, Gaussian 09, DFTB+
  ☆41Updated last year
• giorginolab / vmd_density_profile
  Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
  ☆37Updated 2 years ago
• jrschmidt2 / periodic-NBO
  ☆36Updated 5 years ago
• ORCAQuantumChemistry / CompoundScripts
  Collection of 'compound scripts' for use with the ORCA quantum chemistry software
  ☆79Updated last week
• MarsalekGroup / aml
  A... M... L...
  ☆49Updated 3 years ago
• Lyle-zhang / Amesp
  Amateurish molecular electronic structure program.(for linux)
  ☆23Updated 8 years ago
• cathedralpkg / Pilgrim
  A thermal rate constant calculator and kinetics Monte Carlo Simulator
  ☆13Updated last year
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• ZimmermanGroup / molecularGSM
  code for single-ended and double-ended molecular GSM
  ☆58Updated last month
• MaginnGroup / PyLAT
  ☆108Updated 2 years ago