Alternatives and similar repositories for aMD

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

• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆38Updated this week
• BingqingCheng / cace
  ☆77Updated 3 weeks ago
• mme-ucl / CmuMD
  CmuMD implementation for PLUMED2
  ☆16Updated last year
• CMMRLab / LUNAR
  ☆39Updated 2 weeks ago
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆61Updated 9 months ago
• MaginnGroup / PyLAT
  ☆108Updated 2 years ago
• compchem-cybertraining / Tutorials_CP2K
  Tutorials on CP2K calculations
  ☆51Updated 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…
  ☆52Updated last year
• bjmorgan / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆66Updated last month
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated last year
• by-student-2017 / lammps_education_reaxff_win
  ☆37Updated 3 months ago
• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆29Updated 2 months ago
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆79Updated 2 weeks ago
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆76Updated 2 weeks ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆57Updated 2 months 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
• ICAMS / lammps-user-pace
  ☆29Updated 4 months ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆47Updated 3 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆57Updated 6 months ago
• JonathanSemelak / VDOS
  This Python script, get_VDOS.py, is designed to calculate the Vibrational Density of States (VDOS) from molecular dynamics trajectory fil…
  ☆13Updated last year
• velocirobbie / make-graphitics
  ☆43Updated 4 years ago
• lammpstutorials / lammpstutorials-article
  LAMMPS tutorials for both beginners and advanced users: the article
  ☆22Updated last month
• palmergroupUH / Order_Parameters_Library
  A Python/Fortran order parameter analysis library
  ☆12Updated 4 years ago
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆12Updated 11 months ago
• imagdau / aseMolec
  ☆25Updated last year
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆28Updated 2 months ago
• zhaoqy1996 / YARP
  ☆43Updated 2 years ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆42Updated 3 weeks ago