Alternatives and similar repositories for StructurePrototypeAnalysisPackage:

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

• MDIL-SNU / AMP2
  ☆20Updated last year
• Quantum-Dynamics-Hub / pyxaid2
  ☆12Updated 7 years ago
• maise-guide / maise
  MAISE Module for Ab Initio Structure Evolution (MAISE)
  ☆34Updated 9 months ago
• utf / pymlff
  A lightweight python package for reading and writing VASP ML_AB files
  ☆36Updated 2 months ago
• aradi / SCPC-Method
  ☆25Updated 4 months ago
• rashidrafeek / Quantum-ESPRESSO-scripts
  Python scripts to postprocess Quantum Espresso calclations.
  ☆18Updated 5 years ago
• skelton-group / Phono3py-Power-Tools
  Tools for Phono(3)py power users.
  ☆33Updated last year
• flokno / tools.tdep
  ☆19Updated 4 months ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆27Updated last month
• caizefeng / deltaspin
  A self-adaptive spin-constraining scheme based on cDFT, operating as an extension to VASP
  ☆28Updated 5 months ago
• qzhu2017 / RDF
  A code to compute the radial distribution function
  ☆20Updated 6 years ago
• xtalopt / randSpg
  Random symmetric initialization of crystals
  ☆21Updated 7 years ago
• JaGeo / IR
  Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP
  ☆29Updated 3 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
• gabkrenzer / PhononFlow
  A collection of tips, scripts, tools, and files to enable a better workflow for phonon calculations using VASP and phonopy.
  ☆34Updated 2 years ago
• lyg-ucl / md2d
  MD2D: a python module for accurate determination of diffusion coefficient from molecular dynamics
  ☆21Updated 2 years ago
• tdep-developers / tdep-tutorials
  TDEP Tutorials
  ☆29Updated 2 weeks ago
• MaterSim / vasprun
  quick analysis of vasp calculation
  ☆35Updated 10 months ago
• RaymondZhurm / WyCryst
  Wyckoff Inorganic Crystal Generator Framework
  ☆21Updated last month
• 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
• usnistgov / tb3py
  TB3Py: Two- and three-body tight-binding calculations for materials
  ☆17Updated 7 months ago
• JMSkelton / ModeMap
  A set of tools for mapping and analysing the potential-energy surfaces along phonon modes.
  ☆41Updated last year
• munrojm / DiSPy
  Utility for applying the distortion symmetry method.
  ☆28Updated last year
• QijingZheng / VaspPoscarMayavi
  Use 3D visualization software Mayavi to visualize VASP POSCAR file.
  ☆30Updated last year
• rjacobs914 / VASP-Tools
  A set of tools used for setup, analysis and post-processing of Density Functional Theory (DFT) calculations performed with the VASP packa…
  ☆16Updated 7 years ago
• 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
• cmdlab / pyGWBSE
  python workflow for GW-BSE calculation
  ☆28Updated last year
• bigbrosci / q-robot
  ☆24Updated 3 weeks ago
• vaspkit / 1st_VASPKIT_CUP
  Source codes of the 1st VASPKIT-PAPATERA CUP Awards
  ☆25Updated 5 years ago
• 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 this week