Alternatives and similar repositories for nano106

Users that are interested in nano106 are comparing it to the libraries listed below

• jochym / Elastic
  A module for ASE for elastic constants calculation.
  ☆42Updated 4 months ago
• materialsvirtuallab / snap
  Repository for spectral neighbor analysis potential (SNAP) model development.
  ☆36Updated 4 years ago
• wojdyr / gosam
  generator of simple atomistic models
  ☆28Updated 6 years ago
• elcorto / pwtools
  pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LA…
  ☆69Updated last week
• dgehringer / sqsgenerator
  A command line tool written in Python/C++ for finding optimized SQS structures
  ☆46Updated this week
• henniggroup / GASP-python
  Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.
  ☆57Updated last year
• potfit / potfit
  potfit force-matching code
  ☆37Updated last year
• oekosheri / GB_code
  A grain boundary generation code
  ☆67Updated last year
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆42Updated 5 months ago
• pyscal / pyscal
  Python library written in C++ for calculation of local atomic structural environment
  ☆61Updated 8 months ago
• gcmt-group / sod
  Site-Occupation Disorder
  ☆42Updated last month
• pylada / pylada-defects
  A computational framework to automate point defect calculations
  ☆36Updated 6 years ago
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆49Updated this week
• bjmorgan / vasppy
  A Python suite for manipulating VASP input and output
  ☆46Updated 11 months ago
• materials / mint
  Materials Interface: methods in computational materials science
  ☆25Updated 8 years ago
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆34Updated 10 months ago
• MDIL-SNU / SIMPLE-NN
  SIMPLE-NN(SNU Interatomic Machine-learning PotentiaL packagE – version Neural Network)
  ☆47Updated 3 years ago
• EfremBraun / calc-ir-spectra-from-lammps
  This code shows how to calculate an IR spectrum from a LAMMPS MD simulation.
  ☆51Updated 6 years ago
• lucydot / effmass
  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.
  ☆80Updated 2 weeks ago
• ICAMS / lammps-user-pace
  ☆29Updated 4 months ago
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆42Updated last year
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• Asif-Iqbal-Bhatti / High-Entropy-Alloys
  Generate random alloys and compute various properties
  ☆53Updated 6 months ago
• jkitchin / dft-book-espresso
  New version of dft-book for Quantum Espresso
  ☆45Updated 5 years ago
• aiidateam / aiida-cp2k
  The CP2K plugin for the AiiDA workflow and provenance engine.
  ☆24Updated last month
• libAtoms / GAP
  ☆41Updated last month
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆36Updated 3 months ago
• ksyang2013 / aimsgb
  Ab-initio Interface Materials Simulation Project for Grain Boundaries (AIMSGB)
  ☆62Updated last year
• mturiansky / nonrad
  Implementation for computing nonradiative recombination rates in semiconductors
  ☆48Updated 7 months ago
• pekkosk / hotbit
  ASE density-functional tight-binding calculator
  ☆66Updated 4 months ago