Alternatives and similar repositories for reacnetgenerator

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

• tongzhugroup / mddatasetbuilder
  A script to build reference datasets for training neural network potentials from given LAMMPS trajectories.
  ☆41Updated last week
• hernanchavezthielemann / GRO2LAM
  Gromacs to Lammps simulation converter
  ☆87Updated 2 years 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…
  ☆49Updated 7 months ago
• robinzyb / cp2kdata
  cp2k postprocessing tools
  ☆75Updated last month
• giorginolab / vmd_density_profile
  Computing 1-D atomic densities in macromolecular simulations: The density profile tool for VMD.
  ☆37Updated 2 years ago
• MaginnGroup / PyLAT
  ☆112Updated 3 years ago
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆60Updated 4 years ago
• CMMRLab / LUNAR
  ☆51Updated this week
• 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
• tgraphite / reax_tools
  A high performace ReaxFF/AIMD trajectory analysis tool based on graph theory.
  ☆71Updated 2 months ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆73Updated last year
• tobacco-mofs / tobacco_3.0
  ☆67Updated 4 years 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
• zhenxingwang / lammps-conp
  Constant potential method in LAMMPS
  ☆53Updated 2 years ago
• by-student-2017 / lammps_education_reaxff_win
  ☆39Updated 2 months ago
• winterPack / ReaxFF-Optimization
  Training code used to optimize reaxff force field (via LAMMPS)
  ☆20Updated 8 years ago
• mme-ucl / CmuMD
  CmuMD implementation for PLUMED2
  ☆20Updated 2 years ago
• paduagroup / clandp
  Force field for ionic liquids
  ☆71Updated last month
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• yuxiangwang321 / DensityCalculator
  A TCL code for the calculation of mass/number density of a system.
  ☆19Updated last year
• velocirobbie / make-graphitics
  ☆45Updated 5 years ago
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆71Updated this week
• avishart / CP2K_Editor
  CP2K Editor is a simple GUI for creating input files in the atomistic program CP2K. It is a easy and fast way to create the complex input…
  ☆56Updated 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
• DCoupry / autografs
  Python library for generation of MOFs, COFs, Zeolites...
  ☆33Updated last month
• lalaheihaihei / catalyticLAM
  Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
  ☆50Updated 2 months ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆70Updated last year
• chenggroup / ai2-kit
  A command line and python toolkit featured artificial intelligence × ab initio for complex chemistry systems research.
  ☆85Updated last week
• kmcos / kmcos
  Kinetic Monte Carlo of Systems (KMCOS): lattice based kinetic Monte Carlo with a python front-end and Fortran back-end.
  ☆24Updated 6 months ago
• VASPsol / VASPsol
  ☆75Updated 9 months ago