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)
  ☆73Updated 2 weeks ago
• MarsalekGroup / aml
  A... M... L...
  ☆50Updated 3 years ago
• BingqingCheng / cace
  ☆94Updated last week
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆125Updated this week
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆90Updated 2 weeks ago
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆121Updated last week
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆82Updated last week
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated 2 years ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆49Updated last week
• ICAMS / lammps-user-pace
  ☆30Updated 8 months ago
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆88Updated last week
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆44Updated last month
• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆33Updated 6 months ago
• ulissigroup / vasp-interactive
  ☆69Updated 2 years ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆88Updated last year
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆65Updated 2 years ago
• AegisIK / DistMLIP
  DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation
  ☆84Updated 2 weeks ago
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆106Updated last month
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆39Updated 7 months ago
• zhangylch / REANN
  ☆62Updated 9 months ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆48Updated 3 years ago
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆60Updated last week
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆58Updated last month
• mir-group / pair_nequip_allegro
  LAMMPS pair styles for NequIP and Allegro deep learning interatomic potentials
  ☆52Updated 2 weeks ago
• materialsvirtuallab / matpes
  A foundational potential energy dataset for materials
  ☆42Updated last month
• zadorlab / sella
  A Python software package for saddle point optimization and minimization of atomic systems.
  ☆117Updated 2 weeks ago
• ajmedford / catmap
  Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
  ☆13Updated 9 years ago
• Yangxinsix / painn-sli
  This is the source code for paper "Neural Network Potentials for Accelerated Metadynamics of Oxygen Reduction Kinetics at Au-Water Interf…
  ☆23Updated last year
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆64Updated last year
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆60Updated 3 months ago