Alternatives and similar repositories for inorg-synth-graph

Users that are interested in inorg-synth-graph are comparing it to the libraries listed below

• bjmorgan / site-analysis
  Analysing molecular dynamics simulations of crystalline materials using site occupations
  ☆17Updated last month
• lrcfmd / ChemDASH
  Chemically Directed Atom Swap Hopping -- Crystal structure prediction by swapping atoms in unfavourable chemical environments
  ☆22Updated 2 years ago
• originofmatter / MatGAN
  Generative deep learning model for inorganic materials
  ☆18Updated 2 years ago
• hackingmaterials / materials-coord
  MaterialsCoord: infrastructure to benchmark crystal structure coordination algorithms
  ☆19Updated 2 years ago
• lcmd-epfl / cell2mol
  ☆26Updated last month
• Minoru938 / CSPML
  Original implementation of CSPML
  ☆24Updated 6 months ago
• mogroupumd / Topological_Analysis
  Topological analysis for Li local space, site, pathway in crystal structures
  ☆13Updated 5 years ago
• richardjgowers / zeoplusplus
  Mirror of http://zeoplusplus.org/
  ☆9Updated 7 years ago
• CJBartel / TestStabilityML
  ☆26Updated last year
• kaist-amsg / Synthesizability-PU-CGCNN
  ☆31Updated 3 years ago
• ferchault / APDFT
  APDFT calculates quantumchemical results for many molecules at once.
  ☆14Updated 2 years ago
• TRI-AMDD / piro
  Software for evaluating pareto-optimal synthesis pathways
  ☆25Updated last year
• SimonEnsemble / mpn_charges
  predicting charges on MOF atoms via a message passing MOFs
  ☆24Updated 4 years ago
• pincher-chen / 3DStructGen
  3DStructGen: an interactive web-based 3D structure generation for non-periodic molecule and crystal.
  ☆16Updated 5 years ago
• kaist-amsg / imatgen
  image-based generative model for inverse design of solid state materials
  ☆40Updated 3 years ago
• espottesmith / MPcat
  An interface between the Materials Project software suite and the Schrodinger Python API, designed to allow for high-throughput execution…
  ☆13Updated last year
• learningmatter-mit / alchemical-mlip
  Alchemical machine learning interatomic potentials
  ☆29Updated 8 months ago
• Tsotsalas-Group / MOF_Literature_Extraction
  ☆30Updated 3 years ago
• CompRhys / roost
  Representation Learning from Stoichiometry
  ☆58Updated 2 years ago
• BingqingCheng / Mapping-the-space-of-materials-and-molecules
  ☆10Updated 4 years ago
• mjwen / rxnrep
  Contrastive pretraining to learn chemical reaction representations (RxnRep) for downstream tasks.
  ☆33Updated 2 years ago
• MDIL-SNU / SPINNER
  SPINNER (Structure Prediction of Inorganic crystals using Neural Network potentials with Evolutionary and Random searches)
  ☆14Updated 11 months ago
• zhenpengyao / Supramolecular_VAE
  ☆32Updated 4 years ago
• ftherrien / p2ptrans
  An algorithm to match crystal structures atom-to-atom
  ☆52Updated 2 years ago
• molmd / mispr
  A software for automating materials science computations
  ☆31Updated last month
• xtalopt / randSpg
  Random symmetric initialization of crystals
  ☆22Updated 7 years ago
• PattanaikL / ts_gen
  Generate 3D transition state geometries with GNNs
  ☆14Updated 4 years ago
• muhrin / milad
  Moment Invariants Local Atomic Descriptor
  ☆32Updated 10 months ago
• kaist-amsg / CGCNN-HD
  ☆16Updated 2 years ago
• danieleongari / EQeq
  Charge equilibration method for crystal structures
  ☆13Updated 2 years ago