Pinned Repositories
178inaba
ASAP
ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
atomate2
atomate2 is a library of computational materials science workflows
CALYPSO-kit
CALYPSO kit
ChaGPT-API-Call
Python calls ChatGPT API, multi-turn dialogue support
data-resources-for-materials-science
A list of databases, datasets and books/handbooks where you can find materials properties for machine learning applications.
data-science-ipython-notebooks
Data science Python notebooks: Deep learning (TensorFlow, Theano, Caffe, Keras), scikit-learn, Kaggle, big data (Spark, Hadoop MapReduce, HDFS), matplotlib, pandas, NumPy, SciPy, Python essentials, AWS, and various command lines.
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
dpgen
The deep potential generator
dpgen2
wangzyphysics's Repositories
wangzyphysics/178inaba
wangzyphysics/ASAP
ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
wangzyphysics/atomate2
atomate2 is a library of computational materials science workflows
wangzyphysics/CALYPSO-kit
CALYPSO kit
wangzyphysics/ChaGPT-API-Call
Python calls ChatGPT API, multi-turn dialogue support
wangzyphysics/data-resources-for-materials-science
A list of databases, datasets and books/handbooks where you can find materials properties for machine learning applications.
wangzyphysics/data-science-ipython-notebooks
Data science Python notebooks: Deep learning (TensorFlow, Theano, Caffe, Keras), scikit-learn, Kaggle, big data (Spark, Hadoop MapReduce, HDFS), matplotlib, pandas, NumPy, SciPy, Python essentials, AWS, and various command lines.
wangzyphysics/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
wangzyphysics/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
wangzyphysics/dpgen
The deep potential generator
wangzyphysics/dpgen2
wangzyphysics/vaspvis
A highly flexible and customizable library for visualizing electronic structure data from VASP calculations.
wangzyphysics/dpdispatcher
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
wangzyphysics/feishu-chatgpt
wangzyphysics/Feishu-OpenAI
🎒 飞书 ×（GPT-4 + DALL·E + Whisper）= 飞一般的工作体验 🚀 语音对话、角色扮演、多话题讨论、图片创作、表格分析、文档导出 🚀
wangzyphysics/get-pseudo-potential-from-pwscf-qe
A python script to download the needed pseudopotential
wangzyphysics/mymgroup.github.io
Ma Group Wiki
wangzyphysics/Pake
🤱🏻 Turn any webpage into a desktop app with Rust. 🤱🏻 很简单的用 Rust 打包网页生成很小的桌面 App
wangzyphysics/phononwebsite
Visualise lattice vibrations
wangzyphysics/pseudo_dojo
Python framework for generating and validating pseudo potentials
wangzyphysics/pymatgen
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines classes for structures and molecules with support for many electronic structure codes. It powers the Materials Project.
wangzyphysics/pyprocar
A Python library for electronic structure pre/post-processing
wangzyphysics/pytorch-doc-zh
Pytorch 中文文档
wangzyphysics/PyXtal_FF
Machine Learning Interatomic Potential Predictions
wangzyphysics/scikit-opt
Genetic Algorithm, Particle Swarm Optimization, Simulated Annealing, Ant Colony Optimization Algorithm,Immune Algorithm, Artificial Fish Swarm Algorithm, Differential Evolution and TSP(Traveling salesman)
wangzyphysics/tools-and-data
A collection of tools and databases for atomistic machine learning
wangzyphysics/wangzyphysics
wangzyphysics/wechat-public-account-push
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