Alternatives and similar repositories for cryspnet

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

• lrcfmd / ChemDASH
  Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
  ☆22Updated 2 years ago
• SUNCAT-Center / AtomicStructureGenerator
  This module uses Crystal Structure Prototype Database (CSPD) to generate a list of crystal structures for the system defined by user.
  ☆19Updated 6 years ago
• Minoru938 / CSPML
  Original implementation of CSPML
  ☆27Updated 9 months ago
• mogroupumd / Topological_Analysis
  Topological analysis for Li local space, site, pathway in crystal structures
  ☆13Updated 5 years ago
• ninarina12 / phononDoS_tutorial
  Code repository for a tutorial based on the "Direct prediction of phonon density of states with Euclidean neural networks"
  ☆30Updated last year
• CJBartel / TestStabilityML
  ☆26Updated last year
• CumbyLab / gridrdf
  Code for calculating grouped representation of interatomic distances (GRID) from crystal structures, and applying this in machine learnin…
  ☆12Updated 2 years ago
• lrcfmd / ElMD
  The Element Movers Distance for chemical composition similarity
  ☆35Updated 6 months ago
• frankNiessen / ASE_VASP_automation
  Automation of VASP DFT workflows with ASE - application scripts
  ☆13Updated 2 years ago
• MDIL-SNU / SPINNER
  SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)
  ☆14Updated last year
• lrcfmd / FUSE-stable
  The latest stable release for the crystal structure prediction code FUSE
  ☆13Updated 8 months ago
• RaymondZhurm / WyCryst
  Wyckoff Inorganic Crystal Generator Framework
  ☆24Updated 7 months ago
• zhantaochen / phonondos_e3nn
  Code Repository for "Direct prediction of phonon density of states with Euclidean neural network"
  ☆28Updated 3 years ago
• Andrew-S-Rosen / mof_screen
  High-throughput DFT of MOFs using ASE/VASP
  ☆29Updated 2 years ago
• WMD-group / polytype
  A set of tools and structures for modelling perovskite polytypes
  ☆12Updated 2 years ago
• henniggroup / symbolic-regression-utilities
  ☆11Updated 4 years ago
• zhengl0217 / Perovskite-Electronic-Structure-Feature-Python
  Supporting materials for "An Adaptive Machine Learning Strategy for Accelerating Discovery of Perovskite Electrocatalysts".
  ☆28Updated 5 years ago
• chkunkel / projection_viewer
  An interactive viewer
  ☆14Updated 5 years ago
• angeloziletti / ai4materials
  Deep learning for crystal-structure recognition and analysis of atomic structures
  ☆44Updated last year
• MaterSim / CMS
  Some ongoing projects in Zhu's group
  ☆28Updated last year
• SINGROUP / VASP
  Scripts for analyzing VASP output and preparing VASP input, especially for NEB calculations.
  ☆20Updated 6 years ago
• QuantumMisaka / ATST-Tools
  Advanced ASE Transition State Tools for ABACUS and Deep-Potential
  ☆37Updated 7 months ago
• itamblyn / scripts
  ☆18Updated 6 years ago
• hackingmaterials / materials-coord
  MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms
  ☆19Updated 2 years ago
• OctaDist / OctaDist
  A tool for calculating distortion parameters in coordination complexes.
  ☆16Updated 5 months ago
• xtalopt / randSpg
  Random symmetric initialization of crystals
  ☆23Updated 7 years ago
• CompRhys / aviary
  The Wren sits on its Roost in the Aviary.
  ☆60Updated 2 months ago
• Sassafrass6 / XtraCrysPy
  A crystallographic visualizer for Python, compatible with files from common softwares like Quantum ESPRESSO, VASP, CP2K, etc.
  ☆20Updated 11 months ago
• 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）
  ☆13Updated 4 years ago
• Materials-Consortia / optimade-tutorial-exercises
  Tutorial exercises for the OPTIMADE API
  ☆16Updated 2 years ago