Alternatives and similar repositories for XQueryer

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

• Bin-Cao / TCGPR
  [NpjCM2023 ; Small 2024] Machine Learning Algorithm : outlier identifying, feature selection
  ☆12Updated 4 months ago
• YKQ98 / Matformer
  Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)
  ☆95Updated last year
• jiaor17 / DiffCSP
  [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"
  ☆115Updated last month
• Bgolearn / BgoFace
  A Bayesian global optimization package for material design ｜ Adaptive Learning | Active Learning | 【BgoFace软件分享】BiliBili link
  ☆14Updated last week
• kdmsit / Awesome-Crystal-GNNs
  This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials
  ☆94Updated 2 months ago
• usccolumbia / deeperGATGNN
  Scalable graph neural networks for materials property prediction
  ☆61Updated last year
• Matgenix / pysisso
  Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.
  ☆54Updated last year
• WanyuGroup / AI-for-Crystal-Materials
  AI for crystal materials
  ☆42Updated this week
• bigdata-ustc / QM9nano4USTC
  中科大数据科学导论课程实验-QM9数据集
  ☆30Updated 5 years ago
• ixsluo / cond-cdvae
  An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]
  ☆20Updated 7 months ago
• Bin-Cao / SimXRD
  [ICLR 2025] SimXRD-4M: Big Simulated X-ray Diffraction Data and Crystalline Symmetry Classification Benchmark
  ☆12Updated last week
• jiaor17 / DiffCSP-PP
  [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"
  ☆40Updated 5 months ago
• Jiaxuan-Ma / MLMD
  MLMD: a programming-free AI platform to predict and design materials
  ☆65Updated 2 months ago
• RishikeshMagar / Crystal-Twins
  ☆19Updated last year
• PaulsonLab / TorchSISSO
  ☆16Updated 2 months ago
• yingyingeryu / voltages-of-battery-electrodes
  Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes
  ☆10Updated 2 years ago
• deepmaterials / dlmatreview
  Repository for links to software packages and databases used in deep-learning applications for materials science
  ☆141Updated 2 weeks ago
• Diego-2504 / CGCNN_tutorial
  Crystal Graph Convolutional Neural Networks tutorial
  ☆25Updated 2 years ago
• liugangcode / GREA
  [KDD'22] Source codes of "Graph Rationalization with Environment-based Augmentations"
  ☆42Updated last month
• bytedance / bamboo
  BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…
  ☆82Updated last week
• GLAD-RUC / GGNN4Science
  ☆126Updated 2 months ago
• MGEdata / SuperalloyDigger
  The functions of superalloyDigger toolkit include batch downloading documents in XML and TXT format from the Elsevier database, locating …
  ☆55Updated last week
• dhw059 / DenseGNN
  DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules
  ☆20Updated 4 months ago
• rouyang2017 / SISSO
  A data-driven method combining symbolic regression and compressed sensing for accurate & interpretable models.
  ☆276Updated last month
• Fung-Lab / MatDeepLearn
  MatDeepLearn, package for graph neural networks in materials chemistry
  ☆190Updated 2 years ago
• kaist-amsg / Composition-Conditioned-Crystal-GAN
  Composition-Conditioned Crystal GAN pytorch code
  ☆43Updated 3 years ago
• materialsproject / matbench
  Matbench: Benchmarks for materials science property prediction
  ☆155Updated 8 months ago
• NU-CUCIS / ALIGNNTL
  ☆10Updated last year
• PV-Lab / FTCP
  FTCP code
  ☆34Updated last year
• trachote / dp-cdvae
  Diffusion Probabilistic CDVAE
  ☆23Updated last year