Zhangquan2018

Zhangquan2018's Stars

• lyglst/pyFermi

  Reconstruct the fermi surface and some related physical properties from ab initio calculation.

  Language:Jupyter Notebook1

• lyglst/interp_wav

  Language:Python2

• anthony-wang/CrabNet

  Predict materials properties using only the composition information!

  Language:Python9429

• devAmoghS/Machine-Learning-with-Python

  Small scale machine learning projects to understand the core concepts . Give a Star 🌟If it helps you. BONUS: Interview Bank coming up..!

  Language:Python1.2k183

• DustinAlandzes/machine-learning-with-python-cookbook-notes

  (Part of) Chris Albon's Machine Learning with Python Cookbook in .ipynb form

  Language:Jupyter Notebook275192

• asmanouira/CrystalGAN

  Learning to Discover Crystallographic Structures with Generative Adversarial Networks

  Language:Jupyter Notebook366

• fd17/SciNet_PyTorch

  A PyTorch implementation of the SciNet Paper

  Language:Python367

• anthony-wang/BestPractices

  Things that you should (and should not) do in your Materials Informatics research.

  Language:Jupyter Notebook17876

• atomistic-machine-learning/SchNet

  SchNet - a deep learning architecture for quantum chemistry

  Language:Python22967

• materialsproject/matbench

  Matbench: Benchmarks for materials science property prediction

  Language:Python12546

• issp-center-dev/DCore

  DMFT software for CORrelated Electrons

  Language:Python4414

• DMFTwDFT-project/DMFTwDFT3

  A framework to treat strongly correlated materials using beyond-DFT methods

  Language:Python247

• wolverton-research-group/qmpy

  A suite of computational materials science tools.

  Language:JavaScript12945

• jacobjma/PyQSTEM

  A Python interface to the electron microscopy simulation program QSTEM

  Language:C++6129

• NU-CUCIS/ElemNet

  Deep Learning the Chemistry of Materials From Only Elemental Composition for Enhancing Materials Property Prediction

  Language:Jupyter Notebook9035

• yoshida-lab/XenonPy

  XenonPy is a Python Software for Materials Informatics

  Language:Jupyter Notebook13861

• yjzhang97/pymatgen_bs_dos_plot

  203

• QuantumBFS/SSSS

  "Deep Learning and Quantum Programming" Spring School @ Song Shan Lake

  Language:Jupyter Notebook17556

• whu-maple/tbhcnn

  Prototype code of the tight-binding hamiltonian construction neural network model. Check the example_basic_method.py to construct a TB model for the InSe nanoribbon; Check the example_variation_one.py to optimize a given Wannier TB model for 2-D black phosphorus.

  Language:Python2912

• WOOHYUNHAN/phononTB

  Construct phonon tight-binding model and calculate its topological properties

  Language:Python248

• angeloziletti/ai4materials

  Deep learning for crystal-structure recognition and analysis of atomic structures

  Language:Jupyter Notebook4010

• uw-cmg/MAST-ML

  MAterials Simulation Toolkit for Machine Learning (MAST-ML)

  Language:Jupyter Notebook10661

• halo-dev/halo

  强大易用的开源建站工具。

  Language:Java34.1k9.7k

• freude/NanoNet

  The project represents an extendable Python framework for the electronic structure computations based on the tight-binding method and transport modeling based on the non-equilibrium Green's function (NEGF) method. The code can deal with both finite and periodic system translated in one, two or three dimensions.

  Language:Jupyter Notebook3214

• Volkov-da/curie_calculator

  Magnetic critical temperature Calculator

  Language:Python169

• deepmodeling/dpgen

  The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field

  Language:Python309175

• tomirendo/chern_numbers

  Python library that calculates Chern numbers

  Language:Jupyter Notebook44

• TRIQS/triqs

  a Toolbox for Research on Interacting Quantum Systems

  Language:C++14172

• Chengcheng-Xiao/mpiPyMC

  A python based, MPI enabled, Monte-Carlo calculation of 2D system using Metropolis algorithm.

  Language:Python3415

• lucydot/effmass

  Calculates various definitions of effective mass from the electronic bandstructure of a semiconductor.

  Language:Jupyter Notebook7239