Alternatives and similar repositories for python-ace

Users that are interested in python-ace are comparing it to the libraries listed below

• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆81Updated last month
• BingqingCheng / cace
  ☆117Updated 3 weeks ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆134Updated 2 weeks ago
• MarsalekGroup / aml
  A... M... L...
  ☆52Updated 3 years ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆97Updated last week
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated this week
• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆40Updated 10 months ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆56Updated 3 weeks ago
• AegisIK / DistMLIP
  DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation
  ☆92Updated 4 months ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆28Updated 2 years ago
• ulissigroup / vasp-interactive
  ☆73Updated 2 years ago
• materialyzeai / matcalc
  A python library for calculating materials properties from the PES
  ☆130Updated last week
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆112Updated last week
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆92Updated last week
• zadorlab / sella
  A Python software package for saddle point optimization and minimization of atomic systems.
  ☆129Updated 2 weeks ago
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆48Updated 3 weeks ago
• zhangylch / REANN
  ☆63Updated last year
• ChengUCB / les
  ☆41Updated last week
• BingqingCheng / LES-BEC
  ☆17Updated 3 months ago
• enze-chen / grip
  Grand canonical optimization of grain boundary phases.
  ☆31Updated 8 months ago
• dogusariturk / PhaseForge
  PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…
  ☆58Updated 2 months ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 4 years ago
• ICAMS / lammps-user-pace
  ☆31Updated 2 months ago
• uf3 / uf3
  UF3: a python library for generating ultra-fast interatomic potentials
  ☆70Updated 7 months ago
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆70Updated last week
• dgehringer / sqsgenerator
  A tool for finding optimized SQS structures tool written in C++
  ☆61Updated last month
• nanotheorygroup / kaldo
  Anharmonic Lattice Dynamics
  ☆170Updated this week
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆63Updated 2 months ago
• VASPsol / VASPsol
  ☆75Updated 9 months ago
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆68Updated 3 years ago