Alternatives and similar repositories for gridrdf

Users that are interested in gridrdf 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
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• RaymondZhurm / WyCryst
  Wyckoff Inorganic Crystal Generator Framework
  ☆26Updated 8 months ago
• antoniuk1 / SynthNN
  ☆18Updated 2 years ago
• xtalopt / randSpg
  Random symmetric initialization of crystals
  ☆23Updated 7 years ago
• frankNiessen / ASE_VASP_automation
  Automation of VASP DFT workflows with ASE - application scripts
  ☆13Updated 2 years ago
• sparks-baird / xtal2png
  Encode/decode a crystal structure to/from a grayscale PNG image for direct use with image-based machine learning models such as Palette.
  ☆37Updated 2 years ago
• lrcfmd / FUSE-stable
  The latest stable release for the crystal structure prediction code FUSE
  ☆13Updated last month
• 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…
  ☆20Updated 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…
  ☆14Updated last year
• hspark1212 / crystal-gnn
  A Benchmarking Framework for Crystal GNNs
  ☆20Updated last year
• RUIMINMA1996 / TL_MOF
  A Transfer Learning Study of Gas Adsorption in Metal-Organic Frameworks
  ☆13Updated 5 years ago
• dd-debug / synthesis_planning_algorithm
  A synthesis planning algorithm designed by Jiadong Chen, Wenhao Sun, in University of Michigan.
  ☆21Updated last year
• killiansheriff / AtomisticReverseMonteCarlo
  OVITO Python modifier to generate bulk crystal structures with target Warren-Cowley parameters.
  ☆27Updated 10 months ago
• CederGroupHub / s4
  Solid-state synthesis science analyzer. Thermo, features, ML, and more.
  ☆26Updated 3 years ago
• mogroupumd / Topological_Analysis
  Topological analysis for Li local space, site, pathway in crystal structures
  ☆13Updated 5 years ago
• snu-micc / StructLLM
  Code for Explainable Synthesizability Prediction of Inorganic Crystal Polymorphs using Large Language Models
  ☆12Updated 9 months ago
• CJBartel / TestStabilityML
  ☆26Updated 2 years ago
• lsmo-epfl / zeopp-lsmo
  zeo++ fork of the LSMO
  ☆20Updated 2 years ago
• Materials-Consortia / optimade-tutorial-exercises
  Tutorial exercises for the OPTIMADE API
  ☆17Updated 2 years ago
• ajjackson / mctools
  Quick tools for materials chemistry
  ☆19Updated last year
• jcwang587 / cgcnn2
  Reproduction of CGCNN for predicting material properties
  ☆23Updated last month
• MDIL-SNU / SPINNER
  SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)
  ☆14Updated last year
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆53Updated 2 years ago
• hackingmaterials / materials-coord
  MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms
  ☆19Updated 2 years ago
• Minoru938 / CSPML
  Original implementation of CSPML
  ☆28Updated 11 months ago
• janosh / ffonons
  Phonons from ML force fields
  ☆23Updated 4 months ago
• bafgreat / mofstructure
  A python package to deconstruct MOFs into building units, compute porosity, remove unbound guests and compute cheminfomatic data of build…
  ☆23Updated 8 months ago
• wengroup / matten
  MatTen: Equivariant Graph Neural Nets for Tensorial Properties of Materials
  ☆43Updated 3 weeks ago
• CompRhys / aviary
  The Wren sits on its Roost in the Aviary.
  ☆61Updated last month