Bin-Cao / XQueryerLinks
An integrated software-hardware smart system for material synthesis, characterization, crystal structure analysis, and visualization.
☆26Updated 2 weeks ago
Alternatives and similar repositories for XQueryer
Users that are interested in XQueryer are comparing it to the libraries listed below
Sorting:
- [NPJ Com Mat 2023 | Small 2024] Machine Learning Algorithm : outlier identifying, feature selection☆13Updated 6 months ago
- [ICLR 2025] SimXRD-4M: Big Simulated X-ray Diffraction Data and Crystalline Symmetry Classification Benchmark☆14Updated last month
- Scalable graph neural networks for materials property prediction☆61Updated last year
- AI for crystal materials☆65Updated last week
- Python interface to the SISSO (Sure Independence Screening and Sparsifying Operator) method.☆54Updated last year
- MLMD: a programming-free AI platform to predict and design materials☆70Updated 4 months ago
- A Bayesian global optimization package for material design | Adaptive Learning | Active Learning | 【BgoFace软件分享】BiliBili link☆15Updated last month
- An SE(3)-invariant autoencoder for generating the periodic structure of materials [ICLR 2022]☆23Updated 8 months ago
- [NeurIPS 2023] The implementation for the paper "Crystal Structure Prediction by Joint Equivariant Diffusion"☆119Updated 2 months ago
- Official code for Periodic Graph Transformers for Crystal Material Property Prediction (NeurIPS 2022)☆98Updated last year
- This is the code for the paper 'Machine learning-enabled high-entropy alloy discovery'☆73Updated last year
- DenseGNN: universal and scalable deeper graph neural networks for high-performance property prediction in crystals and molecules☆22Updated 6 months ago
- MatDeepLearn, package for graph neural networks in materials chemistry☆194Updated 2 years ago
- [ICLR 2024] The implementation for the paper "Space Group Constrained Crystal Generation"☆43Updated 3 weeks ago
- This repository contains a collection of resources and papers on GNN Models on Crystal Solid State Materials☆96Updated last month
- BAMBOO (Bytedance AI Molecular BOOster) is an AI-driven machine learning force field designed for precise and efficient electrolyte simu…☆103Updated last month
- ☆10Updated last year
- Crystal Graph Convolutional Neural Networks tutorial☆27Updated 2 years ago
- FTCP code☆34Updated last year
- The functions of superalloyDigger toolkit include batch downloading documents in XML and TXT format from the Elsevier database, locating …☆59Updated last week
- Repository for links to software packages and databases used in deep-learning applications for materials science☆142Updated 2 months ago
- Composition-Conditioned Crystal GAN pytorch code☆43Updated 3 years ago
- Using the CGCNN transfer learning model to pridict the voltages of many kinds of metal-ion battery electrodes☆10Updated 2 years ago
- Zeolite GAN☆22Updated 5 years ago
- ☆20Updated 3 years ago
- [arXiv 2025] Materials Generation in the Era of Artificial Intelligence: A Comprehensive Survey☆24Updated this week
- Interpretable learning for electrode-voltage prediction and design of multivalent metal-ion batteries☆10Updated 3 years ago
- A Large Language Model of the CIF format for Crystal Structure Generation☆110Updated 5 months ago
- ☆19Updated 4 months ago
- ☆19Updated 2 weeks ago