Pinned Repositories
charged-defects
charged-defects-framework
python and bash scripts for setting up and post-processing of charged defects calculations
DefectCorrectionsNotebook
A jupyter notebook workflow for performing post-processing finite-size corrections to periodic electronic structure calculations of charged defect supercells compatible with outputs from the software package FHI-aims.
Global_Optimization
A collection of Global Opitimization Algorithm
Plot_scripts_Matplotlib
vasp_ldos
Depth-resolved density of states plot for VASP
vasp_small_script
vasp_tools
Some useful vasp scripts and tools
VaspStudio
An useful tool to submit your VASP job on HPC, manage your jobs and extract eneries...自动化VASP任务提交、计算结果提取，任务文件管理的工具
Vasptools
some toolkits for VASP
lxf-gzu's Repositories
lxf-gzu/Aubo-Deep-Object-Grasping
Performing pick and place operations using deep learning algorithms GPD and YOLO with the Aubo Robotic Manipulator.
lxf-gzu/band_emc
Post-process the VASP output files to obtain the Fermi surface, (fat) band structures, and effective mass.
lxf-gzu/cgcnn
Crystal graph convolutional neural networks for predicting material properties.
lxf-gzu/ChatGPT
Reverse engineered ChatGPT API
lxf-gzu/chatgpt_academic
科研工作专用ChatGPT拓展，特别优化学术Paper润色体验，支持自定义快捷按钮，支持markdown表格显示，Tex公式双显示，代码显示功能完善，新增本地Python工程剖析功能/自我剖析功能
lxf-gzu/CoCoCrab
Co-Optimization of Composition in CrabNet
lxf-gzu/DeepH-pack
Deep neural networks for density functional theory Hamiltonian.
lxf-gzu/DensityTool
DensityTool post-processing program for VASP
lxf-gzu/DMCP
lxf-gzu/Electrocatalysis-microkinetic-analysis
Microkinetic models for electrochemical CO stripping and hydrogen oxidation
lxf-gzu/gcn
Implementation of Graph Convolutional Networks in TensorFlow
lxf-gzu/gptchem
lxf-gzu/graph-based-deep-learning-literature
links to conference publications in graph-based deep learning
lxf-gzu/HermNet
Heterogeneous relational message passing networks (HermNet)
lxf-gzu/Intro-to-Computation-and-Programming
Introduction to Computation and Programming Using Python
lxf-gzu/juliacon_dft_workshop
A mathematical look on density-functional theory and DFTK
lxf-gzu/megnet
Graph Networks as a Universal Machine Learning Framework for Molecules and Crystals
lxf-gzu/ogb
Benchmark datasets, data loaders, and evaluators for graph machine learning
lxf-gzu/open_manipulator
OpenManipulator for controlling in Gazebo and Moveit with ROS
lxf-gzu/physics_related
Notebooks for the python tutorials of my youtube channel. See specific youtube video for link to specifc notebook.
lxf-gzu/presto
Open source pulsar search and analysis toolkit
lxf-gzu/pyrho
A real-space DFT code
lxf-gzu/pytorch-tutorial
PyTorch深度学习快速入门教程（绝对通俗易懂！）
lxf-gzu/PyTorch-Tutorial-1
Build your neural network easy and fast, 莫烦Python中文教学
lxf-gzu/schnetpack
SchNetPack - Deep Neural Networks for Atomistic Systems
lxf-gzu/School
All my code for various classes during my physics undergrad degree
lxf-gzu/SCPC-Method
lxf-gzu/test1
lxf-gzu/Water-Splitting
Original data and analysis code for two-photon water splitting project
lxf-gzu/workshop
The Materials Project Workshop Curriculum