Alternatives and similar repositories for DES

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

• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆70Updated last year
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆86Updated last year
• paduagroup / clandp
  Force field for ionic liquids
  ☆68Updated 5 months ago
• dspoel / IR-Spectra
  Code and examples to compute IR spectra from normal mode analysis
  ☆14Updated 3 years ago
• velocirobbie / make-graphitics
  ☆45Updated 5 years ago
• Isra3l / ligpargen
  ☆75Updated 10 months ago
• Iourarum / GOPY
  ☆30Updated 2 years ago
• degiacom / assemble
  a tool for creating Molecular Dynamics-ready models of polymeric systems
  ☆23Updated 6 years ago
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆40Updated 5 months ago
• thomasunderwood / ClayFF
  A GROMACS implementation of the ClayFF force field
  ☆38Updated 2 years ago
• CMMRLab / LUNAR
  ☆48Updated 2 weeks ago
• Ianiusha / Uselfuls_Scripts
  python scripts useful to users of computational chemistry software
  ☆43Updated 3 years ago
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆54Updated last year
• MDAnalysis / MDAPackmol
  MDAnalysis wrapper around Packmol
  ☆34Updated 2 years ago
• giorginolab / vmd_density_profile
  Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
  ☆37Updated 2 years ago
• polyluxus / tools-for-g09.bash
  Various bash scripts to aid the use of the quantum chemistry software package Gaussian 09.
  ☆15Updated 6 years ago
• luigibonati / data-driven-CVs
  Supporting material for the paper "Data driven collective variables for enhanced sampling"
  ☆20Updated last year
• tgraphite / reax_tools
  A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.
  ☆68Updated 2 weeks ago
• dralgroup / mlatom
  AI-enhanced computational chemistry
  ☆114Updated last week
• ORCAQuantumChemistry / CompoundScripts
  Collection of 'compound scripts' for use with the ORCA quantum chemistry software
  ☆90Updated last week
• TUHH-TVT / openCOSMO-RS_py
  ☆89Updated 3 weeks ago
• ZimmermanGroup / molecularGSM
  code for single-ended and double-ended molecular GSM
  ☆63Updated 3 weeks ago
• tobacco-mofs / tobacco_3.0
  ☆65Updated 4 years ago
• kdfong / transport-coefficients-MSD
  Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.
  ☆29Updated 4 years ago
• MarsalekGroup / aml
  A... M... L...
  ☆51Updated 3 years ago
• jag1g13 / pdb2lmp
  Convert PDB files to LAMMPS data and force field files.
  ☆18Updated 8 years ago
• yuxiangwang321 / DensityCalculator
  A TCL code for the calculation of mass/number density of a system.
  ☆19Updated last year
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆58Updated 3 years ago
• MDAnalysis / solvation-analysis
  A comprehensive tool for analyzing liquid solvation structure.
  ☆54Updated 3 months ago
• by-student-2017 / lammps_education_reaxff_win
  ☆39Updated 3 weeks ago