barnie曹斌

PyWPEM. [WPEM / PyWPEM] AI-Driven Structure Refinement of X-ray Diffraction

Bgolearn. [NPJ Com. Mat.] Offical implement of Bgolearn

TrAdaboost. [OPEN teaching project] The transfer learning code for understanding and teaching : Boosting for transfer learning with single / multiple source(s)

XQueryer. [Natl. Sci. Rev.] An integrated software-hardware smart system for material synthesis, characterization, crystal structure analysis, and visualization.

SimXRD. [ICLR 2025] SimXRD-4M: Big Simulated X-ray Diffraction Data and Crystalline Symmetry Classification Benchmark

awesome-xrd2crystal. [OPEN Survey] A collection of papers on XRD-based crystal structure identification and analysis.

TCLRmodel. [JMI 2022] TCLR is a tree model for distinguish the mechanisms of data | document https://tclr.netlify.app/

TCGPR. [NPJ Com Mat 2023 | Small 2024] Machine Learning Algorithm : outlier identifying, feature selection

PRDNet. [ICLR 2026] The official implement of PRDNet for Crystal Property Prediction

MultiBgolearn. [NPJ Com. Mat.] Multi-Objective Bayesian Global Optimization of Bgolearn

TabularLab. [OPEN TabularLab] is a desktop application for tabular machine learning.

PDFgenerator. A toolkit for generating Powder Diffraction File (PDF) from Crystallographic Information File (CIF)

KMMTransferRegressor. A library of transfer learning regression algorithms based on kernel mean matching for Instance transfer learning

WPEM. A X-ray Diffraction Refinement Software

SciVerseGym. [arxiv:2606.22425] SVGym is a Gymnasium-style environment for crystal-structure discovery.

PlotEverything. [PlotEverything] Nature-style plots without expertise.

notetaker. The software helps manage literature notes in Markdown files

exQE. toolkit package of Quantum ESPRESSO

ShapEV. [JMI 2022 | Aggregate 2025] A package for searching equivalent values based on joined SHAP values

Bin-Cao. JavaScript

caobin. SCSS

PyArpes. Data Post-Processing Package for ARPES Data

Patents. arXiv the authorized patents and registered software copyrights of Bin Cao.

MPhil_SHU. Data illustrated in my dissertation (2023) / Shanghai University / MPhil

XRetriever. The official implementation of XRetriever, an XRD phase search tool based on retrieval strategy.

q-e. Mirror of the Quantum ESPRESSO repository. Please do not post Issues or pull requests here. Use gitlab.com/QEF/q-e instead.

Quantum-Espresso-Tutorial-2019-Projects. some useful documents

AlloyDiscovery. [OPEN Alloy] The official implement of ATON for high entropy alloy discovery