Alternatives and similar repositories for calphy:

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

• hsulab / GDPy
  Generating Deep Potential with Python
  ☆64Updated this week
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆86Updated this week
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆83Updated 2 weeks ago
• ulissigroup / vasp-interactive
  ☆64Updated last year
• materialsvirtuallab / matcalc
  A python library for calculating materials properties from the PES
  ☆70Updated 2 months ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆59Updated last year
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆46Updated 3 years ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆65Updated last week
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆58Updated 10 months ago
• MarsalekGroup / aml
  A... M... L...
  ☆47Updated 2 years ago
• CederGroupHub / smol
  Statistical Mechanics on Lattices
  ☆68Updated this week
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• advancesoftcorp / lammps
  Compiled binaries and sources of LAMMPS, redistributed by AdvanceSoft Corp.
  ☆43Updated last week
• zhangylch / REANN
  ☆56Updated last month
• MaterSim / PyXtal_FF
  Machine Learning Interatomic Potential Predictions
  ☆89Updated 11 months ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆45Updated 2 weeks ago
• ICAMS / python-ace
  ☆73Updated 2 months ago
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆41Updated last month
• libAtoms / GAP
  ☆40Updated 5 months ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆59Updated 4 months ago
• srtee / lammps-USER-CONP2
  updated constant potential plugin for LAMMPS
  ☆37Updated 2 years ago
• freitas-rodrigo / FreeEnergyLAMMPS
  Examples demonstrating how to reproduce the results in the paper.
  ☆50Updated 2 months ago
• BingqingCheng / cace
  ☆57Updated this week
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆45Updated this week
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆34Updated last year
• ICAMS / lammps-user-pace
  ☆28Updated 3 weeks ago
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆22Updated last year
• MaginnGroup / PyLAT
  ☆106Updated 2 years ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆73Updated this week
• orlandoacevedo / IL
  Ionic liquid force field parameters (OPLS-2009IL and OPLS-VSIL)
  ☆56Updated 5 months ago