Alternatives and similar repositories for cif-bond-analyzer

Users that are interested in cif-bond-analyzer are comparing it to the libraries listed below

• lsmo-epfl / zeopp-lsmo
  zeo++ fork of the LSMO
  ☆14Updated 2 years ago
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆34Updated last year
• hello-arun / tutorials
  Tutorials of codes such as VASP, Quantum Espresso and Lammps
  ☆13Updated last month
• icomse / DFT_summer_2022
  Repository for 2022 Summer DFT for Catalysis i-CoMSE workshop
  ☆13Updated last year
• DefAP / defap
  DefAP is a program developed to facilitate the exploration of a material's defect chemistry. A large number of features are provided and …
  ☆20Updated last week
• gabkrenzer / vaspMD
  A collection of tips, scripts, tools and files to improve your workflow, or simply help you start with ab initio Molecular Dynamics (AIMD…
  ☆21Updated last year
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated 2 years ago
• tyst3273 / pynamic-structure-factor
  python code to calculate inelastic-neutron-scattering dynamic structure factor, S(Q,w), from molecular dynamics trajectories using parall…
  ☆18Updated this week
• JaGeo / AtomicContributions
  Vizualisation of Atomic Contributions to Phonon Modes
  ☆11Updated 6 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
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆36Updated 2 months ago
• i-pi / tutorials-schools
  ☆16Updated 3 years ago
• Chengcheng-Xiao / VASP_LOL
  VASP - Localized Orbital Locator + Electron Localizability Indicator
  ☆17Updated 2 years ago
• aradi / SCPC-Method
  ☆25Updated 4 months ago
• lsmo-epfl / aiida-raspa
  The RASPA plugin for the AiiDA workflow and provenance engine. http://www.aiida.net
  ☆11Updated last year
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆20Updated 6 years ago
• janosh / ffonons
  Phonons from ML force fields
  ☆20Updated last month
• PabloPiaggi / EnvironmentFinder
  Tool for finding atomic environments in crystal structures
  ☆21Updated 10 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
• bobleesj / cifkit
  High-throughput .cif analysis made easy. DOI: https://doi.org/10.21105/joss.07205
  ☆20Updated 2 weeks ago
• Yangxinsix / curator
  A flexible workflow for on-the-fly learning of interatomic potential models.
  ☆27Updated last year
• SMTG-Bham / easyunfold
  Band structure unfolding made easy!
  ☆53Updated 3 weeks ago
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆33Updated last year
• Yanggang-Wang-Group / CPTI
  a workflow to do constant potential thermodynamic integration in VASP
  ☆10Updated 4 months ago
• yuanyue-liu-group / CP-VASP
  ☆39Updated 7 months ago
• lucydot / vesta_vectors
  A Python 3 script to visualise atomic displacement using the Vesta file format
  ☆17Updated 5 years ago
• flokno / tools.tdep
  ☆19Updated 4 months ago
• SMTG-Bham / galore
  Gaussian and Lorentzian smearing of simulated spectra
  ☆40Updated 7 months ago
• r2stanton / pyrovskite
  A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.
  ☆27Updated 8 months ago
• enze-chen / grip
  Grand canonical optimization of grain boundary phases.
  ☆19Updated this week