Alternatives and similar repositories for pymatgen_examples:

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

• haidi-ustc / maptool
  Materials Project Tool : An useful tool for manipulating, analying and visualization input and output of materials simulation codes.
  ☆16Updated 2 years ago
• materialsproject / pymatgen-analysis-defects
  Defect analysis modules for pymatgen
  ☆48Updated this week
• Linqiaosong / Fermi-Softness-for-VASP
  A script for calculating Fermi-Softness.
  ☆13Updated 3 years ago
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆33Updated last year
• compchem-cybertraining / Tutorials_Libra
  Tutorials showcasing various capabilities of Libra
  ☆23Updated last month
• mogroupumd / aimd
  ☆41Updated 6 years ago
• luzihen / AIMD_Toolkit
  This a toolkit repository to read, and analysis ab initio molecular dynamics simulations
  ☆11Updated 4 years ago
• ldwillia / SL3ME
  A Python3 implementation of the Spectroscopic Limited Maximum Efficiency (SLME) analysis of solar absorbers
  ☆28Updated 3 years ago
• SMTG-Bham / surfaxe
  Dealing with slabs for first principles calculations of surfaces
  ☆62Updated last year
• pylada / pylada-defects
  A computational framework to automate point defect calculations
  ☆36Updated 6 years ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆35Updated 10 months ago
• 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
• conodipaola / kg4vasp
  Kubo-Greenwood for transport properties from First Principle Molecular Dynamics with VASP
  ☆23Updated 4 years ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆36Updated last month
• MaterSim / CMS
  Some ongoing projects in Zhu's group
  ☆28Updated last year
• SSlakeLabTiangong / 2019_workshop
  ☆14Updated 5 years ago
• yh-phys / vasp_tools
  Some useful vasp scripts and tools
  ☆22Updated 5 years ago
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆34Updated 9 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 3 months ago
• JaGeo / LobsterPy
  Package to perform automatic bonding analysis with the program Lobster in the field of computational materials science and quantum chemis…
  ☆86Updated 2 weeks ago
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆50Updated this week
• yuanyue-liu-group / CP-VASP
  ☆37Updated 6 months ago
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated 2 years ago
• jrschmidt2 / periodic-NBO
  ☆36Updated 5 years ago
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆30Updated last year
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆41Updated 11 months ago
• bigbrosci / q-robot
  ☆24Updated last week
• NU-CEM / ThermoPot
  Python package for calculating thermodynamic potentials from first-principles calculations
  ☆14Updated last year
• Sassafrass6 / XtraCrysPy
  A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.
  ☆19Updated 6 months ago
• dakarhanek / VASP-infrared-intensities
  A simple BASH script for extraction of infared intensities from DFPT calculation output by VASP code.
  ☆25Updated 11 months ago