Alternatives and similar repositories for elba-lammps:

Users that are interested in elba-lammps are comparing it to the libraries listed below

• simongravelle / gromacs-input-files
  GROMACS input files
  ☆17Updated last year
• molmod / QuickFF
  A Python code to quickly derive ab initio parameterized force fields.
  ☆38Updated last year
• by-student-2017 / lammps_education_gcmc_win
  ☆14Updated last month
• velocirobbie / make-graphitics
  ☆42Updated 4 years ago
• plrodolfo / FluidFreeEnergyforLAMMPS
  Fluid-phase Free-energy Calculation package for LAMMPS
  ☆24Updated 2 years ago
• simongravelle / python-for-lammps
  Python scripts for dealing with molecular dynamics script for LAMMPS
  ☆17Updated 2 years ago
• atoms-ufrj / postlammps
  A tool for performing post-processing of lammps log files
  ☆13Updated 3 years ago
• by-student-2017 / lammps_education_reaxff_win
  ☆34Updated last month
• JoshuaSBrown / QC_Tools
  This small repository provides functionality for calculating the charge transfer integrals between two molecules.
  ☆30Updated last year
• joeyelk / MD-Structure-Factor
  Calculates 3d structure factor and simulated x-ray diffraction pattern from molecular dynamics trajectories
  ☆16Updated 5 years ago
• votca / csg
  Coarse-graining potentials from atomistic references made easy
  ☆26Updated 3 years ago
• jag1g13 / pdb2lmp
  Convert PDB files to LAMMPS data and force field files.
  ☆18Updated 7 years ago
• MaginnGroup / Cassandra
  Cassandra is a Monte Carlo package to conduct atomistic simulations.
  ☆43Updated 8 months ago
• mosdef-hub / mbuild_tutorials
  A set of tutorials to introduce new users to mBuild
  ☆10Updated 3 years ago
• felixplasser / theodore-qc
  TheoDORE - A package for Theoretical Density, Orbital Relaxation and Exciton analysis
  ☆30Updated 6 months ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆35Updated this week
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆30Updated 5 months ago
• kevinshen56714 / emc-pypi
  Python interface for Enhanced Monte Carlo (EMC)
  ☆18Updated 2 months ago
• CMMRLab / LUNAR
  ☆25Updated this week
• giorginolab / vmd_density_profile
  Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
  ☆36Updated last year
• smutao / PyVibMS
  A PyMOL plugin for visualizing vibrations in molecules and solids
  ☆41Updated 3 months ago
• tbmalt / tbmalt
  Tight Binding Machine Learning Toolkit
  ☆35Updated this week
• simongravelle / atb2lammps
  Convert files from the ATB repository to LAMMPS format
  ☆17Updated 2 months ago
• Iourarum / GOPY
  ☆26Updated 2 years ago
• dmorse / pscfpp
  Polymer Self-Consistent Field Theory (C++/CUDA version)
  ☆34Updated this week
• dev-zero / cp2k-tools
  DEPRECATED: Simple python scripts to somehow mangle CP2K output and generate some input
  ☆25Updated 5 years ago
• icomse / mcmd_summer_2022
  Repository for material from the 2020 MC/MD Summer Workshop
  ☆11Updated 6 months ago
• potfit / potfit
  potfit force-matching code
  ☆34Updated 10 months ago
• yiming-xu / LAMMPS_Simulation
  Simulation Input/Output for LAMMPS with ReaxFF for Atomistic Corrosion Modelling
  ☆29Updated 5 years ago
• libmbd / libmbd
  Many-body dispersion library
  ☆54Updated 3 months ago