Alternatives and similar repositories for WarrenCowleyParameters

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

• killiansheriff / AtomisticReverseMonteCarlo
  OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
  ☆25Updated 6 months ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆86Updated this week
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆65Updated last month
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆47Updated last month
• dogusariturk / PhaseForge
  PhaseForge is a framework for high-throughput alloy phase diagram prediction using machine learning interatomic potentials (MLIPs) integr…
  ☆44Updated last month
• ICAMS / python-ace
  ☆89Updated 8 months ago
• BingqingCheng / cace
  ☆88Updated 2 weeks ago
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆98Updated last week
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆44Updated 7 months ago
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆28Updated 4 months ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆56Updated last year
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆34Updated last year
• AegisIK / DistMLIP
  DistMLIP: A Distributed Inference Library for Fast, Large Scale Atomistic Simulation
  ☆68Updated 3 weeks ago
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆43Updated last week
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆38Updated 5 months ago
• ChengUCB / les
  ☆23Updated last month
• lab-cosmo / torch-pme
  Particle-mesh based calculations of long-range interactions in PyTorch
  ☆53Updated 2 weeks ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆39Updated 2 months ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆39Updated this week
• janosh / ffonons
  Phonons from ML force fields
  ☆23Updated last month
• ilyes319 / mace-tutorials
  Collection of tutorials to use the MACE machine learning force field.
  ☆48Updated 10 months 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…
  ☆22Updated last year
• enze-chen / grip
  Grand canonical optimization of grain boundary phases.
  ☆26Updated 2 months ago
• kinisi-dev / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆72Updated last week
• BingqingCheng / LES-BEC
  ☆12Updated last month
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆30Updated 3 weeks ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated 2 years ago
• libAtoms / workflow
  python workflow toolkit
  ☆40Updated 3 weeks ago
• MarsalekGroup / aml
  A... M... L...
  ☆50Updated 3 years ago