SPARC-X / SPARC-X-API

Related projects ⓘ

Alternatives and complementary repositories for SPARC-X-API

• ICAMS / python-ace
  ☆71Updated this week
• ACEsuit / mace-mp
  MACE-MP models
  ☆48Updated 6 months ago
• tdep-developers / tdep
  The Temperature Dependent Effective Potentials (TDEP) code
  ☆61Updated this week
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆47Updated 2 years ago
• ulissigroup / vasp-interactive
  ☆62Updated last year
• MarsalekGroup / aml
  A... M... L...
  ☆47Updated 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…
  ☆41Updated 8 months ago
• zadorlab / pynta
  Pynta - an automated workflow for reaction path exploration on metallic surfaces
  ☆34Updated last week
• ajmedford / catmap
  Catalyst Micro-kinetic Analysis Package for automated creation of micro-kinetic models used in catalyst screening
  ☆13Updated 9 years ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆32Updated 10 months ago
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆51Updated last year
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆45Updated 5 months ago
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆33Updated last month
• BingqingCheng / cace
  ☆43Updated 2 weeks ago
• abelcarreras / phonolammps
  LAMMPS interface for phonon calculations using phonopy
  ☆84Updated 2 months 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
• SMTG-Bham / ShakeNBreak
  Defect structure-searching employing chemically-guided bond distortions
  ☆82Updated last week
• mogroupumd / aimd
  ☆39Updated 6 years ago
• killiansheriff / WarrenCowleyParameters
  OVITO Python modifier to compute the Warren-Cowley parameters.
  ☆23Updated this week
• QijingZheng / VaspVib2XSF
  Visualize vibrational modes from VASP calculations
  ☆37Updated 2 years ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆70Updated last year
• ICAMS / lammps-user-pace
  ☆25Updated this week
• simonverret / materials_data_api_scripts
  scripts to load all data from ICSD, Materials Project, and OQMD
  ☆50Updated 2 years ago
• jrschmidt2 / micki
  Object-oriented microkinetic modeling package using ASE
  ☆21Updated last year
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆55Updated last year
• ICAMS / calphy
  A Python library and command line interface for automated free energy calculations
  ☆70Updated last week
• kumagai-group / pydefect
  Python library for point-defect calculations in non-metallic solids based on first-principle calculations with the VASP code.
  ☆47Updated 2 weeks ago
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆46Updated this week
• SSCHAcode / python-sscha
  The python implementation of the Stochastic Self-Consistent Harmonic Approximation (SSCHA).
  ☆55Updated this week
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆42Updated this week