Alternatives and similar repositories for StructureFinder

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

• bjmorgan / bsym
  A Basic Symmetry Module (Python)
  ☆17Updated last month
• uw-cmg / MAST
  MAterials Simulation Toolkit for use with pymatgen
  ☆17Updated last year
• ulissigroup / wherewulff
  WhereWulff: A semi-autonomous workflow for systematic catalyst surface reactivity under reaction conditions
  ☆32Updated last year
• vossjo / libbeef
  Library for Bayesian error estimation functionals for use in density functional theory codes
  ☆24Updated 2 years ago
• lmhale99 / atomman
  Atomistic Manipulation Toolkit
  ☆36Updated last month
• atomisticnet / xas-tools
  Tools related to X-ray absorption spectroscopy (XAS)
  ☆19Updated 10 months ago
• chrisjsewell / ase-notebook
  Highly configurable 2D (SVG) & 3D (threejs) visualisations for ASE/Pymatgen structures, within the Jupyter Notebook.
  ☆32Updated 2 years ago
• zorkzou / UniMoVib
  a unified interface for molecular harmonic vibrational frequency calculations
  ☆31Updated 9 months ago
• ISISNeutronMuon / MDANSE
  MDANSE: Molecular Dynamics Analysis for Neutron Scattering Experiments
  ☆26Updated this week
• pyscal / pyscal3
  More efficient and faster version of pyscal
  ☆21Updated 2 months ago
• spglib / moyo
  Library for Crystal Symmetry in Rust
  ☆52Updated this week
• aiidaplugins / aiida-lammps
  LAMMPS plugin for AiiDA
  ☆24Updated this week
• anooplab / pyar
  Python program for aggregation and reaction
  ☆21Updated 7 months ago
• BingqingCheng / Compute-absolute-Gibbs-free-energy
  This repository contains detailed instructions, input files and data analysis Jupyter notebooks for performing free energy calculations …
  ☆18Updated 4 years ago
• bjmorgan / site-analysis
  Tools for analysing molecular dynamics simulations using site occupations
  ☆16Updated this week
• lmmentel / ase-espresso
  ase interface for Quantum Espresso
  ☆22Updated 4 years ago
• BlauGroup / RNMC
  ☆17Updated 5 months ago
• molmod / tamkin
  TAMkin is a post-processing toolkit for thermochemistry and kinetics analysis.
  ☆22Updated last year
• eljost / thermoanalysis
  Stand-alone thermochemistry in python for ORCA and Gaussian.
  ☆31Updated 6 months ago
• NU-CEM / ThermoPot
  Python package for calculating thermodynamic potentials from first-principles calculations
  ☆14Updated last year
• ulissigroup / vasp-interactive
  ☆67Updated 2 years ago
• usnistgov / feasst
  The Free Energy and Advanced Sampling Simulation Toolkit (FEASST) is a free and open-source software to conduct molecular- and particle-b…
  ☆40Updated this week
• GKieslich / crystIT
  Description, readme and source-files for crystIT, a python based program to calculated complexity measures for crystal structures based o…
  ☆16Updated last year
• OctaDist / OctaDist
  A tool for calculating distortion parameters in coordination complexes.
  ☆16Updated 3 weeks ago
• nomad-coe / electronic-parsers
  ☆20Updated this week
• MDIL-SNU / AMP2
  ☆20Updated last year
• Sassafrass6 / XtraCrysPy
  A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.
  ☆20Updated 7 months ago
• patonlab / pyDFTD3
  Python version of Grimme's D3-dispersion correction for Gaussian input/output
  ☆17Updated 2 years ago
• pyiron / pyiron_atomistics
  pyiron_atomistics - an integrated development environment (IDE) for atomistic simulation in computational materials science.
  ☆45Updated this week
• nakulrampal / betsi-gui
  BET Surface Identification - a program that fully implements the rouquerol criteria
  ☆14Updated last year