Alternatives and similar repositories for perovskite_htm_screening

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

• Jesperkemist / perovskitedatabase
  ☆68Updated last year
• dhw059 / DenseGNN
  DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules
  ☆25Updated 10 months ago
• NU-CUCIS / ALIGNNTL
  ☆11Updated last year
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆25Updated last year
• good4488 / ZeoGAN
  Zeolite GAN
  ☆24Updated 5 years ago
• cyye001 / Con-CDVAE
  This is a conditionally generative model for crystal structures based on a modified version of CDVAE.
  ☆35Updated last week
• xiaohang007 / SLICES
  SLICES: An Invertible, Invariant, and String-based Crystal Representation [2023, Nature Communications] MatterGPT, SLICES-PLUS
  ☆125Updated 2 weeks ago
• lantunes / CrystaLLM
  A Large Language Model of the CIF format for Crystal Structure Generation
  ☆133Updated last month
• tobacco-mofs / tobacco_3.0
  ☆64Updated 4 years ago
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆87Updated this week
• DeepSorption / DeepSorption1.0
  ☆14Updated 2 years ago
• SeyedMohamadMoosavi / tools-cp-porousmat
  Heat capacity predictor for porous materials
  ☆12Updated last year
• hspark1212 / MOFTransformer
  Universal Transfer Learning in Porous Materials, including MOFs.
  ☆113Updated last year
• by256 / icsg3d
  3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)
  ☆41Updated 2 years ago
• st4sd / nanopore-adsorption-experiment
  Simulates molecular adsorption and diffusion on nanoporous materials.
  ☆18Updated 10 months ago
• Sangwon91 / PORMAKE
  Python library for the construction of porous materials using topology and building blocks.
  ☆79Updated 5 months ago
• deepmaterials / dlmatreview
  Repository for links to software packages and databases used in deep-learning applications for materials science
  ☆148Updated 6 months ago
• michaeldalverson / CrysTens
  ☆26Updated last year
• Matgenix / pysisso
  Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.
  ☆62Updated last year
• Yeonghun1675 / L2M3
  Large Language Models Material Miner
  ☆42Updated 8 months ago
• anthony-wang / CrabNet
  Predict materials properties using only the composition information!
  ☆112Updated 2 years ago
• ixsluo / CrystalFlow
  ☆20Updated last week
• nguyen-group / GNNOpt
  Universal Ensemble-Embedding Graph Neural Network for Direct Prediction of Optical Spectra from Crystal Structures
  ☆31Updated 10 months ago
• usccolumbia / AlphaCrystal
  AlphaCrytal: Contact map based deep learning algorithm for crystal structure prediction
  ☆10Updated 2 years ago
• mathsphy / paper-data-redundancy
  Repo for the paper "Exploiting redundancy in large materials datasets for efficient machine learning with less data"
  ☆11Updated last year
• ruihwang / MOF-CGCNN
  We developed a novel method, MOF-CGCNN, to efficiently and accurately predict the methane the volumetric uptakes at 65 bar for MOFs. Two …
  ☆20Updated 3 years ago
• uowoolab / MEPO-ML
  A graph attention network based model for predicting atomic partial charges in metal-organic frameworks.
  ☆13Updated 2 months ago
• BingqingCheng / TiO2-water
  ☆10Updated 2 years ago
• uw-cmg / perovskite-oxide-stability-prediction
  code package with elemental property dictionary that trains a model based on training dataset and gives prediction on new perovskite comp…
  ☆29Updated 7 years ago
• ICAMS / grace-tensorpotential
  GRACE models and gracemaker (as implemented in TensorPotential package)
  ☆75Updated last week