killiansheriff / WarrenCowleyParameters

Related projects ⓘ

Alternatives and complementary repositories for WarrenCowleyParameters

• killiansheriff / AtomisticReverseMonteCarlo
  OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
  ☆21Updated 2 months ago
• BingqingCheng / cace
  ☆46Updated 3 weeks ago
• ICAMS / python-ace
  ☆72Updated last week
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆32Updated 10 months ago
• ulissigroup / vasp-interactive
  ☆62Updated last year
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆47Updated this week
• libAtoms / workflow
  python workflow toolkit
  ☆35Updated 3 weeks ago
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆66Updated 2 weeks 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…
  ☆19Updated 5 months ago
• ACEsuit / mace-mp
  MACE-MP models
  ☆47Updated last week
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆13Updated 5 months ago
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆36Updated last year
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆71Updated 3 weeks ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆45Updated 6 months ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆30Updated 2 months ago
• MarsalekGroup / aml
  A... M... L...
  ☆47Updated 2 years ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆47Updated 2 years ago
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆51Updated 2 years ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆34Updated 2 weeks ago
• imagdau / aseMolec
  ☆20Updated 7 months ago
• lalaheihaihei / catalyticLAM
  Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
  ☆26Updated last week
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆65Updated this week
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆21Updated 3 weeks ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆55Updated last year
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆49Updated 2 weeks ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆47Updated 6 years ago
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆51Updated last year
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆22Updated 6 months ago
• tobacco-mofs / tobacco_3.0
  ☆48Updated 3 years ago
• bjmorgan / kinisi
  A Python package for estimating diffusion properties from molecular dynamics simulations.
  ☆57Updated last week