Alternatives and similar repositories for UniPero

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

• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆84Updated last week
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated 2 years ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆61Updated 2 weeks ago
• zishengz / gocia
  Global Optimizer for Clusters, Interfaces, and Adsorbates
  ☆28Updated 4 months ago
• ICAMS / python-ace
  ☆87Updated 7 months ago
• BingqingCheng / LES-BEC
  ☆12Updated 3 weeks ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆87Updated 10 months ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆38Updated 4 months ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆64Updated last year
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆30Updated last year
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆62Updated 2 years ago
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆64Updated 7 months ago
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆29Updated 8 months ago
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆34Updated last year
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆60Updated last month
• CSIprinceton / workshop-july-2023
  Deep Modeling for Molecular Simulation 2023, four-day in-person workshop, July 11-14, 2023
  ☆19Updated 2 years ago
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆45Updated 3 weeks ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆53Updated 3 weeks ago
• QuantumMisaka / dpeva
  Deep Potential Evolution Accelerator
  ☆17Updated last week
• dgehringer / sqsgenerator
  A command line tool written in Python/C++ for finding optimized SQS structures
  ☆49Updated 2 weeks ago
• MarsalekGroup / aml
  A... M... L...
  ☆50Updated 3 years ago
• mogroupumd / aimd
  ☆42Updated 7 years ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆34Updated 4 months ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆49Updated 3 years ago
• lalaheihaihei / catalyticLAM
  Machine-Learning-Based Interatomic Potentials for Catalysis: an Universal Catalytic Large Atomic Model
  ☆37Updated last month
• BingqingCheng / cace
  ☆82Updated 3 weeks ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆85Updated this week
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆94Updated last week
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆42Updated 6 months ago