Pinned Repositories
AIMD_Toolkit
This a toolkit repository to read, and analysis ab initio molecular dynamics simulations
atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
BAT-AIRSS
Tools for battery research with AIRSS
bwapi
Brood War API
cgcnn
Crystal graph convolutional neural networks for predicting material properties.
combo
COMmon Bayesian Optimization
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.
high-throughput-computations
hiq-fermion
A VQE-based quantum chemistry simulator
pymatgen_examples
Some examples of using pymatgen code
luzihen's Repositories
luzihen/pymatgen_examples
Some examples of using pymatgen code
luzihen/AIMD_Toolkit
This a toolkit repository to read, and analysis ab initio molecular dynamics simulations
luzihen/BAT-AIRSS
Tools for battery research with AIRSS
luzihen/atomate
atomate is a powerful software for computational materials science and contains pre-built workflows.
luzihen/bwapi
Brood War API
luzihen/cgcnn
Crystal graph convolutional neural networks for predicting material properties.
luzihen/combo
COMmon Bayesian Optimization
luzihen/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.
luzihen/high-throughput-computations
luzihen/hiq-fermion
A VQE-based quantum chemistry simulator
luzihen/IDEAL_results
luzihen/jiapeng-liu.github.io
Personal Homepage
luzihen/LOSIKO
luzihen/luzihen.github.io
Github Pages template for academic personal websites, forked from mmistakes/minimal-mistakes
luzihen/matgenb
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
luzihen/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.
luzihen/personal-website
Code that'll help you kickstart a personal website that showcases your work as a software developer.
luzihen/phonopy
Phonon code
luzihen/s2client-api
StarCraft II Client - C++ library supported on Windows, Linux and Mac designed for building scripted bots and research using the SC2API.
luzihen/smilite
A Python module to retrieve and compare SMILE strings of chemical compounds from the free ZINC online database
luzihen/TensorMol
Tensorflow + Molecules = TensorMol