Alternatives and similar repositories for lammps

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

• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆131Updated 2 weeks ago
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆39Updated 2 years ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆76Updated 2 weeks ago
• ulissigroup / vasp-interactive
  ☆72Updated 2 years ago
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆47Updated 3 months ago
• MarsalekGroup / aml
  A... M... L...
  ☆53Updated 3 years ago
• lalaheihaihei / catalyticLAM
  Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
  ☆44Updated last month
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated last week
• mogroupumd / aimd
  ☆45Updated 7 years ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆37Updated 8 months ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 3 years ago
• VASPsol / VASPsol
  ☆71Updated 7 months ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆62Updated 2 weeks ago
• hellozhaoming / FCP-vasp-ase
  ASE interface for fully constant potential with VASP
  ☆40Updated last year
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆28Updated 2 years ago
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆30Updated 8 months ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆42Updated 9 months ago
• tobacco-mofs / tobacco_3.0
  ☆65Updated 4 years ago
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆125Updated last week
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆110Updated last week
• yuanyue-liu-group / CP-VASP
  ☆60Updated last year
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆53Updated 7 years ago
• AegisIK / DistMLIP
  DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation
  ☆89Updated 2 months ago
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆68Updated 3 years ago
• BingqingCheng / cace
  ☆108Updated this week
• brucefan1983 / GPUMD-Tutorials
  Tutorials related to GPUMD
  ☆67Updated this week
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆90Updated last week
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆59Updated last week
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆40Updated last month
• materialsproject / mpmorph
  MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently unde…
  ☆73Updated last year