Alternatives and similar repositories for turbogap

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

• ttadano / ALM
  ☆20Updated last year
• BingqingCheng / Compute-absolute-Gibbs-free-energy
  This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …
  ☆19Updated 4 years ago
• Madsen-s-research-group / neuralil-public-releases
  Public releases of the NeuralIL differentiable neural-network force field
  ☆13Updated 9 months ago
• MihailBogojeski / ml-dft
  A package for density functional approximation using machine learning.
  ☆26Updated 4 years ago
• ifilot / pypwdft
  Python-based plane wave density functional theory code for educational purposes
  ☆29Updated 3 months ago
• tbmalt / tbmalt
  Tight Binding Machine Learning Toolkit
  ☆38Updated this week
• tyst3273 / pynamic-structure-factor
  python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…
  ☆18Updated last week
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆45Updated last week
• ltalirz / atomistic-software
  Tracking citations of atomistic simulation engines
  ☆21Updated last month
• MDIL-SNU / AMP2
  ☆20Updated last year
• FedeDat / VASP-tutorial
  Introductory course on the Vienna Ab Initio Simulation Package (VASP) given by Dr. Federico Dattila at the Institute of Chemical Research…
  ☆21Updated 2 years ago
• uw-cmg / MAST
  MAterials Simulation Toolkit for use with pymatgen
  ☆17Updated last year
• aiidaplugins / aiida-lammps
  LAMMPS plugin for AiiDA
  ☆25Updated this week
• libAtoms / GAP
  ☆42Updated 2 months 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 2 weeks ago
• symfc / symfc
  Generate symmetrized force constants
  ☆21Updated 2 weeks ago
• jkitchin / dft-book-espresso
  New version of dft-book for Quantum Espresso
  ☆45Updated 5 years ago
• i-pi / tutorials-schools
  ☆17Updated 4 years ago
• KeivanS / Anharmonic-lattice-dynamics
  Set of codes to extract force constants from force-displacements data, calculate phonon dispersion (FOCEX) and thermal transport properti…
  ☆16Updated 2 months ago
• pmla / auguste
  Minimum-strain symmetrization of Bravais lattices
  ☆17Updated 5 years ago
• ICAMS / lammps-user-pace
  ☆29Updated 5 months ago
• flokno / tools.tdep
  ☆19Updated 6 months ago
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated 2 years ago
• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆17Updated 2 months ago
• Sassafrass6 / XtraCrysPy
  A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.
  ☆20Updated 8 months ago
• dgehringer / sqsgenerator
  A command line tool written in Python/C++ for finding optimized SQS structures
  ☆47Updated this week
• aiidateam / aiida-tutorials
  AiiDA tutorials web site
  ☆24Updated 9 months ago
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆24Updated 2 years ago
• aiida-vasp / parsevasp
  A general parser for VASP
  ☆13Updated 2 weeks ago
• Allen-Tildesley / data
  Data files which may be used to test examples accompanying the book "Computer Simulation of Liquids" by Michael P. Allen and Dominic J. T…
  ☆15Updated 7 years ago