Alternatives and similar repositories for airsspy

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

• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆34Updated last year
• atomicarchitects / phonax
  ☆21Updated last year
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆56Updated last month
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆39Updated this week
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆36Updated 2 months ago
• janosh / ffonons
  Phonons from ML force fields
  ☆20Updated last month
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆28Updated last year
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆52Updated 2 years ago
• bjmorgan / py-sc-fermi
  py-sc-fermi is a materials modelling code for calculating self-consistent Fermi energies and defect concentrations under thermodynamic eq…
  ☆28Updated 3 months ago
• libAtoms / workflow
  python workflow toolkit
  ☆39Updated 2 months ago
• symfc / symfc
  Generate symmetrized force constants
  ☆21Updated last week
• lrcfmd / ICSDClient
  A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…
  ☆17Updated 5 months ago
• ChengUCB / les
  ☆16Updated this week
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆48Updated this week
• usnistgov / tb3py
  TB3Py: Two- and three-body tight-binding calculations for materials
  ☆17Updated 7 months ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆63Updated last year
• xtalopt / randSpg
  Random symmetric initialization of crystals
  ☆21Updated 7 years ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆53Updated 3 weeks ago
• argonne-lcf / active-learning-md
  Active learning workflow developed as a part of the upcoming article "Machine Learning Inter-Atomic Potentials Generation Driven by Activ…
  ☆27Updated 3 years ago
• stfc / janus-core
  Tools for machine learnt interatomic potentials
  ☆28Updated this week
• imagdau / aseMolec
  ☆25Updated last year
• LePingKYXK / Velocity-ACF
  Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
  ☆26Updated last year
• WMD-group / PDynA
  Python package to analyse the structural dynamics of perovskites
  ☆41Updated 5 months ago
• WMD-group / ElementEmbeddings
  Python package to interact with high-dimensional representations of the chemical elements
  ☆42Updated last week
• lucydot / vesta_vectors
  A Python 3 script to visualise atomic displacement using the Vesta file format
  ☆17Updated 5 years ago
• ulissigroup / finetuna
  Active Learning for Machine Learning Potentials
  ☆55Updated 11 months ago
• dgehringer / sqsgenerator
  A command line tool written in Python/C++ for finding optimized SQS structures
  ☆46Updated this week
• lrcfmd / ChemDASH
  Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
  ☆22Updated 2 years ago
• enze-chen / grip
  Grand canonical optimization of grain boundary phases.
  ☆19Updated this week
• autoatml / autoplex
  Code for automated fitting of machine learned interatomic potentials.
  ☆76Updated this week