Alternatives and similar repositories for turbogap:

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

• tyst3273 / pynamic-structure-factor
  python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…
  ☆18Updated 2 months ago
• Madsen-s-research-group / neuralil-public-releases
  Public releases of the NeuralIL differentiable neural-network force field
  ☆13Updated 7 months ago
• Sassafrass6 / XtraCrysPy
  A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.
  ☆19Updated 6 months ago
• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆17Updated last week
• symfc / symfc
  Generate symmetrized force constants
  ☆21Updated last week
• pmla / evgraf
  Geometric analysis of crystal structures
  ☆15Updated 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
• FedeDat / VASP-tutorial
  Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…
  ☆20Updated 2 years ago
• ICAMS / lammps-user-pace
  ☆29Updated 3 months ago
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated 2 years ago
• BingqingCheng / Compute-absolute-Gibbs-free-energy
  This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …
  ☆17Updated 4 years ago
• aiida-vasp / parsevasp
  A general parser for VASP
  ☆13Updated last week
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆32Updated last year
• ltalirz / atomistic-software
  Tracking citations of atomistic simulation engines
  ☆19Updated last week
• sissaschool / sportran
  A code to estimate transport coefficients from the cepstral analysis of a (multi)variate current stationary time series -- [FKA "thermoce…
  ☆41Updated 3 months ago
• TnakaTnakaTnaka / PHNEGF
  Python scripts to investigate the phonon transport for perfect crystal on the basis of NEGF theory
  ☆20Updated 4 years ago
• SPARC-X / SPMS-psps
  SPMS table of pseudopotentials
  ☆19Updated 2 years ago
• InWonYeu / interphon
  Interfacial Phonon code
  ☆26Updated 2 years ago
• dgehringer / sqsgenerator
  A command line tool written in Python/C++ for finding optimized SQS structures
  ☆46Updated this week
• lmhale99 / iprPy
  NIST Interatomic Potential Repository property calculation tools
  ☆12Updated last week
• MihailBogojeski / ml-dft
  A package for density functional approximation using machine learning.
  ☆26Updated 4 years ago
• flokno / tools.tdep
  ☆19Updated 4 months ago
• NU-CEM / ThermoPot
  Python package for calculating thermodynamic potentials from first-principles calculations
  ☆14Updated last year
• jarvist / Julia-Phonons
  Julia codes to play with Phonons
  ☆24Updated 6 years ago
• rohskopf / modecode
  Massively parallel vibrational mode calculator.
  ☆23Updated 8 months ago
• tdep-developers / tdep-tutorials
  TDEP Tutorials
  ☆29Updated this week
• uw-cmg / MAST
  MAterials Simulation Toolkit for use with pymatgen
  ☆17Updated last year
• 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…
  ☆26Updated 3 years ago
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆34Updated 9 months ago
• i-pi / tutorials-schools
  ☆16Updated 3 years ago