Alternatives and similar repositories for IL:

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

• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆76Updated last year
• paduagroup / clandp
  Force field for ionic liquids
  ☆63Updated 8 months ago
• tobacco-mofs / tobacco_3.0
  ☆53Updated 4 years ago
• akohlmey / topotools
  VMD plugin for manipulating topology information
  ☆36Updated 3 months ago
• MarsalekGroup / aml
  A... M... L...
  ☆47Updated 3 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆53Updated 5 months ago
• Isra3l / ligpargen
  ☆62Updated 3 months ago
• MaginnGroup / PyLAT
  ☆108Updated 2 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…
  ☆52Updated last year
• giorginolab / vmd_density_profile
  Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
  ☆36Updated last year
• ZimmermanGroup / molecularGSM
  code for single-ended and double-ended molecular GSM
  ☆56Updated 2 months ago
• dralgroup / mlatom
  AI-enhanced computational chemistry
  ☆78Updated 2 weeks ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• thomasunderwood / ClayFF
  A GROMACS implementation of the ClayFF force field
  ☆35Updated 2 years ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆47Updated 3 years ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated last year
• MDAnalysis / solvation-analysis
  A comprehensive tool for analyzing liquid solvation structure.
  ☆49Updated 8 months ago
• atomisticnet / tools-and-data
  A collection of tools and databases for atomistic machine learning
  ☆48Updated 3 years ago
• kdfong / transport-coefficients-MSD
  Code to compute Onsager transport coefficients from molecular dynamics simulations using mean-square displacements.
  ☆24Updated 3 years ago
• zadorlab / sella
  A Python software package for saddle point optimization and minimization of atomic systems.
  ☆94Updated 5 months ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆36Updated last week
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆19Updated 7 years ago
• CMMRLab / LUNAR
  ☆32Updated this week
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆65Updated 3 months ago
• by-student-2017 / lammps_education_reaxff_win
  ☆37Updated 2 months ago
• bytedance / bamboo
  BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…
  ☆69Updated 3 months ago
• tommason14 / modified_polymatic
  ☆12Updated 2 years ago
• zhangylch / REANN
  ☆57Updated 4 months ago
• Iourarum / GOPY
  ☆27Updated 2 years ago