Bin-Cao / XQueryerLinks
[Natl. Sci. Rev.] An integrated software-hardware smart system for material synthesis, characterization, crystal structure analysis, and visualization.
☆29Updated this week
Alternatives and similar repositories for XQueryer
Users that are interested in XQueryer are comparing it to the libraries listed below
Sorting:
- [ICLR 2025] SimXRD-4M: Big Simulated X-ray Diffraction Data and Crystalline Symmetry Classification Benchmark☆17Updated last month
- [NPJ Com Mat 2023 | Small 2024] Machine Learning Algorithm : outlier identifying, feature selection☆14Updated last month
- This is the code of KA-GNN☆81Updated 2 months ago
- Scalable graph neural networks for materials property prediction☆63Updated last year
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆63Updated last year
- Pytorch Repository for our work: Graph convolutional neural networks with global attention for improved materials property prediction☆83Updated last year
- [arXiv 2025] Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey☆35Updated last month
- Source code for "Improving Chemical Reaction Yield Prediction Using Pre-Trained Graph Neural Networks"☆21Updated last year
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆109Updated last month
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆27Updated 11 months ago
- AI for crystal materials☆98Updated last week
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆109Updated 2 years ago
- 中科大数据科学导论课程实验-QM9数据集☆32Updated 5 years ago
- [MGE Advances 2025] Offical implement of BgoFace☆17Updated last month
- Unsupervised learning of atomic scale dynamics from molecular dynamics.☆83Updated 4 years ago
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆26Updated last year
- MatDesign: a programming-free AI platform to predict and design materials☆75Updated 5 months ago
- MatDeepLearn, package for graph neural networks in materials chemistry☆198Updated 2 years ago
- This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'☆83Updated 2 years ago
- 3-D Inorganic Crystal Structure Generation and Property Prediction via Representation Learning (JCIM 2020)☆41Updated 2 years ago
- ☆29Updated 3 years ago
- NeurIPS 2018 MLMM Workshop: Integrating Crystal Graph Convolutional Neural Network with Multitask Learning for Material Property Predicti…☆68Updated last year
- Crystal Graph Convolutional Neural Networks tutorial☆29Updated 2 years ago
- Awesome list about AI4Polymer☆15Updated 2 months ago
- Collecting a variety of Agent-Ready tool modules☆70Updated last month
- Theory Infused Neural Network☆11Updated 2 months ago
- Transformer model for structure-agnostic metal-organic frameworks (MOF) property prediction☆59Updated 2 years ago
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆137Updated last month
- Repository for links to software packages and databases used in deep-learning applications for materials science☆150Updated 7 months ago
- Applying Machine Learning methodologies in search of novel MOF's and battery materials.☆13Updated 2 years ago