Alternatives and similar repositories for crystal-symmetry-primer:

Users that are interested in crystal-symmetry-primer are comparing it to the libraries listed below

• pmla / auguste
  Minimum-strain symmetrization of Bravais lattices
  ☆17Updated 4 years ago
• virtualatoms / AnisoNet
  This repository contains neccessary code to train AnisoNet, an equivariant graph neural network for predicting dielectric tensors of crys…
  ☆10Updated 6 months ago
• phonopy / spgrep-modulation
  Collective atomic modulation analysis with irreducible space-group representation
  ☆15Updated this week
• JaGeo / TutorialAtomate2Forcefields
  Tutorial to learn basic features of atomate2
  ☆13Updated 4 months ago
• hackingmaterials / materials-coord
  MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms
  ☆17Updated last year
• IonRepo / IonDiff
  Unsupervised identification and analysis of ion-hopping events in solid state electrolytes.
  ☆11Updated 2 weeks ago
• materialsproject / foundation
  ☆17Updated 2 weeks ago
• ml-evs / this-material-does-not-exist
  Vote on whether you think predicted crystal structures could be synthesised
  ☆16Updated 6 months ago
• mturiansky / abcv
  A python-based crystal viewer built upon the fresnel and pymatgen libraries.
  ☆16Updated 8 months ago
• orionarcher / pymatgen-io-openmm
  A Pymatgen IO module for setting up OpenMM simulations.
  ☆11Updated 10 months ago
• aiida-vasp / parsevasp
  A general parser for VASP
  ☆13Updated this week
• ajjackson / mctools
  Quick tools for materials chemistry
  ☆15Updated 8 months ago
• giprayogo / SHRY
  A tool for generating unique ordered structures corresponding to a given disordered structure.
  ☆16Updated last year
• xtalopt / randSpg
  Random symmetric initialization of crystals
  ☆20Updated 7 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…
  ☆17Updated 3 months ago
• stfc / janus-core
  Tools for machine learnt interatomic potentials
  ☆21Updated last week
• janosh / ffonons
  Phonons from ML force fields
  ☆17Updated 3 weeks ago
• WMD-group / MLFF
  A collection of files related to machine learning force fields
  ☆21Updated last year
• dskoda / quests
  Quick Uncertainty and Entropy via STructural Similarity
  ☆30Updated 3 weeks ago
• zhubonan / airsspy
  Python bindings for the `buildcell` program for Ab Initio Random Structure Searching (AIRSS)
  ☆16Updated 7 months ago
• ltalirz / atomistic-software
  Tracking citations of atomistic simulation engines
  ☆19Updated this week
• WMD-group / PyTASER
  Python package to simulate differential absorption spectra of crystals from first principles
  ☆25Updated 11 months ago
• MPA2suite / k_SRME
  Heat-conductivity benchmark test for foundational machine-learning potentials
  ☆18Updated 2 weeks ago
• materialsproject / pymatgen-io-validation
  Comprehensive input/output validator. Made with the purpose of ensuring VASP calculations are compatible with Materials Project data, wit…
  ☆13Updated this week
• MorrowChem / how-to-validate-potentials
  Some tutorial-style examples for validating machine-learned interatomic potentials
  ☆30Updated last year
• tcnicholas / chic
  Coarse-graining Hybrid and Inorganic Crystals (CHIC) is a Python package for automating the cleaning-up and coarse-graining of crystals a…
  ☆12Updated 2 months ago
• KazMorita / polyhedron_distortion
  ☆11Updated last year
• rpw199912j / matsci_animation
  materials science related animations
  ☆11Updated 3 weeks ago
• lrcfmd / ICSDClient
  A python library for accessing the ICSD API Client. Under no affiliation with Fitz-Karlsruhe, please see https://icsd.fiz-karlsruhe.de/in…
  ☆17Updated 2 months ago