luzihen

luzihen's Stars

• jjqqkk/chromium

  Chromium browser with SSL VPN. Use this browser to unblock websites.

  4k

• Blizzard/s2client-api

  StarCraft II Client - C++ library supported on Windows, Linux and Mac designed for building scripted bots and research using the SC2API.

  Language:C++1.7k104205281

• bwapi/bwapi

  Brood War API

  Language:C++1.6k91823273

• materialsproject/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.

  Language:Python1.5k1121.4k867

• hackingmaterials/matminer

  Data mining for materials science

  Language:HTML48528223194

• XuhaoWan/DMCP

  Language:Python23831249

• tsudalab/combo

  COMmon Bayesian Optimization

  Language:Python150141037

• lab-cosmo/chemiscope

  An interactive structure/property explorer for materials and molecules

  Language:TypeScript1342013234

• atomisticnet/aenet

  Atomic interaction potentials based on artificial neural networks

  Language:Fortran116151141

• materialsproject/mpmorph

  MPmorph is a collection of tools to run and analyze ab-initio molecular dynamics (AIMD) calculations run with VASP, and is currently under development. It relies heavily on tools developed by the Materials Project (pymatgen, custodian, fireworks) and atomate.

  Language:Python6412431

• evangelistalab/forte

  Language:C++52118830

• kaist-amsg/Composition-Conditioned-Crystal-GAN

  Composition-Conditioned Crystal GAN pytorch code

  Language:Python413417

• pythonpanda/coulomb_matrix

  A Python based code to construct a Sorted Coulomb matrix from Smile strings (CSV input) of molecules . An optional scikit-learn is invoked at the end of the script to classify molecules using SVM.

  Language:Python23207

• MindQuantum-HiQ/hiq-fermion

  A VQE-based quantum chemistry simulator

  Language:Python13514

• luzihen/AIMD_Toolkit

  This a toolkit repository to read, and analysis ab initio molecular dynamics simulations

  Language:MATLAB10006