Alternatives and similar repositories for workshop-july-2023

Users that are interested in workshop-july-2023 are comparing it to the libraries listed below

• ulissigroup / vasp-interactive
  ☆73Updated 2 years ago
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆34Updated 2 years ago
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆40Updated last week
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆44Updated 10 months ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated last month
• MarsalekGroup / aml
  A... M... L...
  ☆53Updated 3 years ago
• vnquanvuong / DFTBparaopt
  DFTB parameter optimization tools
  ☆12Updated 2 years ago
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆48Updated this week
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆55Updated last week
• ICAMS / python-ace
  ☆101Updated 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
  ☆43Updated last month
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆40Updated this week
• i-pi / tutorials-schools
  ☆20Updated 4 years ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆65Updated 2 years ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆96Updated last week
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆31Updated 2 years ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆63Updated last month
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆91Updated last week
• ifilot / pyqint
  An Educational Hartree-Fock Code in Python: Transparent Implementation of Gaussian-Type Integrals, SCF Procedures, and Geometry Optimizat…
  ☆57Updated last week
• dgehringer / sqsgenerator
  A tool for finding optimized SQS structures tool written in C++
  ☆60Updated last month
• ChengUCB / les
  ☆40Updated last month
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆90Updated 2 months ago
• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆39Updated 9 months ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆39Updated 3 weeks ago
• BingqingCheng / LES-BEC
  ☆16Updated 3 months ago
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 2 years ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆133Updated last week
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆69Updated last year
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆31Updated last week