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
  ☆72Updated 2 years ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆42Updated 10 months ago
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆34Updated 2 years ago
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆86Updated last week
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆48Updated 4 months ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆54Updated last week
• andreagrisafi / SALTED
  Symmetry-Adapted Learning of Three-dimensional Electron Densities (and their electrostatic response)
  ☆40Updated last week
• ICAMS / python-ace
  ☆100Updated last year
• dgehringer / sqsgenerator
  A tool for finding optimized SQS structures tool written in C++
  ☆60Updated last week
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆28Updated 2 years ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆65Updated 2 years ago
• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆37Updated 8 months ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆39Updated this week
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆91Updated last month
• MarsalekGroup / aml
  A... M... L...
  ☆53Updated 3 years ago
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆32Updated 2 weeks ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆69Updated last year
• i-pi / tutorials-schools
  ☆19Updated 4 years ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆96Updated last month
• QuantumMisaka / LASP_autotrain_lib
  LASP python library including scripts and auto-NNtrain workflow
  ☆20Updated 2 years ago
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆90Updated last week
• dftbplus / skprogs
  Basic programs for generating Slater-Koster files for the DFTB-method
  ☆27Updated 10 months ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆63Updated last month
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆67Updated 2 months ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆58Updated 2 weeks ago
• materialyzeai / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆37Updated 5 years ago
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆31Updated this week
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆43Updated 3 months ago
• mogroupumd / aimd
  ☆45Updated 7 years ago
• hsulab / GDPy
  Generating Deep Potential with Python
  ☆70Updated this week