Alternatives and similar repositories for site-analysis:

Users that are interested in site-analysis are comparing it to the libraries listed below

• Sassafrass6 / XtraCrysPy
  A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.
  ☆18Updated 6 months ago
• flokno / tools.tdep
  ☆19Updated 3 months ago
• IonRepo / IonDiff
  Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.
  ☆11Updated 3 months ago
• MDIL-SNU / AMP2
  ☆20Updated 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 year
• mogroupumd / Topological_Analysis
  Topological analysis for Li local space, site, pathway in crystal structures
  ☆13Updated 5 years ago
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆18Updated 5 years ago
• xtalopt / randSpg
  Random symmetric initialization of crystals
  ☆21Updated 7 years ago
• Chengcheng-Xiao / VASP_LOL
  VASP - Localized Orbital Locator + Electron Localizability Indicator
  ☆17Updated 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 2 months ago
• utf / bapt
  Band alignment plotting tool
  ☆24Updated 3 weeks ago
• WMD-group / polytype
  A set of tools and structures for modelling perovskite polytypes
  ☆12Updated last year
• MFTabriz / slabcc
  SLABCC: Total energy correction code for charged periodic slab models. Project is currently maintained at https://codeberg.org/meisam/sla…
  ☆16Updated 2 months ago
• MDIL-SNU / SPINNER
  SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)
  ☆13Updated 8 months ago
• usnistgov / tb3py
  TB3Py: Two- and three-body tight-binding calculations for materials
  ☆17Updated 6 months ago
• 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
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated 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
• WMD-group / MLFF
  A collection of files related to machine learning force fields
  ☆21Updated 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…
  ☆19Updated 2 years ago
• pmla / evgraf
  Geometric analysis of crystal structures
  ☆15Updated 2 years ago
• janosh / ffonons
  Phonons from ML force fields
  ☆19Updated last week
• 999938825 / easyvasp
  高通量建立vasp模型和批量分析模型性质（High throughput VASP model and batch analysis model properties）
  ☆12Updated 3 years ago
• lucydot / vesta_vectors
  A Python 3 script to visualise atomic displacement using the Vesta file format
  ☆17Updated 4 years ago
• hello-arun / tutorials
  Tutorials of codes such as VASP, Quantum Espresso and Lammps
  ☆13Updated last week
• ajjackson / mctools
  Quick tools for materials chemistry
  ☆17Updated 10 months ago
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆32Updated last year
• dgehringer / sqsgenerator
  A command line tool written in Python/C++ for finding optimized SQS structures
  ☆46Updated this week
• NU-CEM / ThermoPot
  Python package for calculating thermodynamic potentials from first-principles calculations
  ☆14Updated last year
• chkunkel / projection_viewer
  An interactive viewer
  ☆14Updated 4 years ago