LePingKYXK
I am a lecturer working at the Wuhan University of Technology.
Wuhan University of TechnologyWuhan, Hubei, P. R. China
Pinned Repositories
biopandas
Working with molecular structures in pandas DataFrames
Dipole-ACF
A Python (version 2.7) script for calculating the IR spectrum based on the Fast Fourier Transform (FFT) of the Auto-Correlation Function of the total dipole moment data (Dipole-ACF, or DACF). The total dipole moment data were generated from the CP2K ab initio molecular dynamics (AIMD) simulations.
Gaussian_tools
LePingKYXK.github.io
personal page
parse_PDB_header
A Python 3 script for parsing the header information of PDB files, such as Experiment Method, Resolution, R_free value and mean B-factor
PDB_cleaner
A Python 3 script for cleaning up the PDB file
PWmat_tools
Python scripts for PWmat
Python_Lectures
A (very) Brief Introduction to Python3
symmetry
Find symmetry point group of molecules
Velocity-ACF
Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
LePingKYXK's Repositories
LePingKYXK/Velocity-ACF
Calculate Spectrum Based on Fast Fourier Transform (FFT) of the Velocity Autocorrelation Function (VACF).
LePingKYXK/Dipole-ACF
A Python (version 2.7) script for calculating the IR spectrum based on the Fast Fourier Transform (FFT) of the Auto-Correlation Function of the total dipole moment data (Dipole-ACF, or DACF). The total dipole moment data were generated from the CP2K ab initio molecular dynamics (AIMD) simulations.
LePingKYXK/PDB_cleaner
A Python 3 script for cleaning up the PDB file
LePingKYXK/LePingKYXK.github.io
personal page
LePingKYXK/Gaussian_tools
LePingKYXK/Python_Lectures
A (very) Brief Introduction to Python3
LePingKYXK/symmetry
Find symmetry point group of molecules
LePingKYXK/biopython
Official git repository for Biopython (converted from CVS)
LePingKYXK/deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional models
LePingKYXK/matgenb
Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.
LePingKYXK/parse_PDB_header
A Python 3 script for parsing the header information of PDB files, such as Experiment Method, Resolution, R_free value and mean B-factor
LePingKYXK/PWmat_tools
Python scripts for PWmat
LePingKYXK/qutip-notebooks
A collection of IPython notebooks using QuTiP: examples, tutorials, development test, etc.
LePingKYXK/VASPKIT_manual
VASPKIT_manual markdown source!
LePingKYXK/100-Days-Of-ML-Code
100 Days of ML Coding
LePingKYXK/abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
LePingKYXK/asetk
Toolkit using the Atomistic Simulation Environment (ASE)
LePingKYXK/Bringing-Old-Photos-Back-to-Life
Bringing Old Photo Back to Life (CVPR 2020 oral)
LePingKYXK/CSMCCM
Tools (Python 3 scripts) for dealing with CSM/CCM calculations and parsing the resultant data.
LePingKYXK/kproj
KPROJ: A Band Unfolding Program
LePingKYXK/Linear-Algebra-With-Python
Lecture Notes for Linear Algebra Featuring Python.
LePingKYXK/machine-learning-yearning-cn
CHINESE TRANSLATION OF MACHINE LEARNING YEARNING BY ANDREW NG
LePingKYXK/numpy-cn
NumPy官方中文文档（完整版）
LePingKYXK/permutations_checker
A Python 3 script for checking the permutation files generated by the CSM/CCM calculations
LePingKYXK/pwkit
LePingKYXK/pyrovskite
A software package for the high throughput construction, analysis, and featurization of two- and three-dimensional perovskite systems.
LePingKYXK/PySCF_Tutorial
LePingKYXK/szaboqc
LePingKYXK/test
a Jupyter notebook test
LePingKYXK/vasp_tools
Some Python 3 scripts for VASP