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)
  ☆73Updated last year
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆87Updated 2 years ago
• paduagroup / clandp
  Force field for ionic liquids
  ☆71Updated last month
• dspoel / IR-Spectra
  Code and examples to compute IR spectra from normal mode analysis
  ☆15Updated 3 years ago
• Iourarum / GOPY
  ☆30Updated 3 years ago
• Ianiusha / Uselfuls_Scripts
  python scripts useful to users of computational chemistry software
  ☆43Updated 3 years ago
• velocirobbie / make-graphitics
  ☆45Updated 5 years ago
• thomasunderwood / ClayFF
  A GROMACS implementation of the ClayFF force field
  ☆41Updated 3 years ago
• ORCAQuantumChemistry / CompoundScripts
  Collection of 'compound scripts' for use with the ORCA quantum chemistry software
  ☆98Updated 2 months ago
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆41Updated 7 months ago
• CMMRLab / LUNAR
  ☆51Updated last week
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆20Updated 8 years ago
• Isra3l / ligpargen
  ☆78Updated last year
• SarkisovGitHub / PoreBlazer
  PoreBlazer (v4.0) source code, examples, and geometric properties of porous materials calculated for the subset of 12,000 structures from…
  ☆54Updated 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
• ZimmermanGroup / molecularGSM
  code for single-ended and double-ended molecular GSM
  ☆64Updated last month
• mme-ucl / CmuMD
  CmuMD implementation for PLUMED2
  ☆21Updated 2 years ago
• tgraphite / reax_tools
  A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.
  ☆71Updated 2 months ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆53Updated 7 years ago
• yuxiangwang321 / DensityCalculator
  A TCL code for the calculation of mass/number density of a system.
  ☆19Updated last year
• degiacom / assemble
  a tool for creating Molecular Dynamics-ready models of polymeric systems
  ☆23Updated 6 years ago
• kdfong / transport-coefficients-MSD
  Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.
  ☆29Updated 4 years ago
• simongravelle / pyplot-perso
  Personal functions for making Pyplot Python figures
  ☆20Updated last year
• aspuru-guzik-group / xtb-gaussian
  A wrapper to run xtb inside Gaussian.
  ☆25Updated 5 years ago
• luigibonati / data-driven-CVs
  Supporting material for the paper "Data driven collective variables for enhanced sampling"
  ☆20Updated last year
• dadaoqiuzhi / RMD_Digging
  RMD_digging is aimed to provide pre-processing and post-processing tools for the reactive molecular dynamics (ReaxFF) simulations based o…
  ☆49Updated 7 months ago
• MarsalekGroup / aml
  A... M... L...
  ☆53Updated 3 years ago
• zhaoqy1996 / YARP
  ☆52Updated 3 years ago
• jag1g13 / pdb2lmp
  Convert PDB files to LAMMPS data and force field files.
  ☆19Updated 8 years ago