Pinned Repositories
ASAP
ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
chenggroup.github.io
XMU Chenglab Wiki
clash_for_windows_pkg
A Windows/macOS GUI based on Clash
Correlation
This program calculates the main correlation functions of a material: Radial Distribution Function (J(r)), Pair Distribution Function (g(r)) and Plane Angle Distribution (PAD).
cp2k
Quantum chemistry and solid state physics software package
cp2k-analysis-tools
Analysis tools for CP2K and other simulation software
deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional models
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
dpgen
The deep potential generator
Wangfeiteng1's Repositories
Wangfeiteng1/cp2k
Quantum chemistry and solid state physics software package
Wangfeiteng1/ASAP
ASAP is a package that can quickly analyze and visualize datasets of crystal or molecular structures.
Wangfeiteng1/chenggroup.github.io
XMU Chenglab Wiki
Wangfeiteng1/clash_for_windows_pkg
A Windows/macOS GUI based on Clash
Wangfeiteng1/Correlation
This program calculates the main correlation functions of a material: Radial Distribution Function (J(r)), Pair Distribution Function (g(r)) and Plane Angle Distribution (PAD).
Wangfeiteng1/deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional models
Wangfeiteng1/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
Wangfeiteng1/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
Wangfeiteng1/dpgen
The deep potential generator
Wangfeiteng1/Electrocatalysis-microkinetic-analysis
Microkinetic models for electrochemical CO stripping and hydrogen oxidation
Wangfeiteng1/freeenergy
Wangfeiteng1/lammps
Public development project of the LAMMPS MD software package
Wangfeiteng1/LAMMPS_replica_exchange_example
Wangfeiteng1/MBAR
Multistate Bennett Acceptance Ratio
Wangfeiteng1/MLinQCbook22
Wangfeiteng1/moltemplate
A general cross-platform tool for preparing simulations of molecules and complex molecular assemblies
Wangfeiteng1/PIMDanalysis2
New PIMD analysis program
Wangfeiteng1/PyBaMM
Fast and flexible physics-based battery models in Python
Wangfeiteng1/pycse
Python computations in science and engineering
Wangfeiteng1/pytim
a python package for the interfacial analysis of molecular simulations
Wangfeiteng1/q-e_schrodinger
Quantum ESPRESSO package for integration into Schrödinger’s Materials Science Suite
Wangfeiteng1/REMD_analysis
A repository for the development of data analysis tools for replica exchange molecular dynamics (REMD) simulations
Wangfeiteng1/scattering
Functions for analyzing molecular simulations according to scattering experiments
Wangfeiteng1/trackpy
Python particle tracking toolkit
Wangfeiteng1/Tutorials_CP2K
Tutorials on CP2K calculations
Wangfeiteng1/Van-Hove-Function
Wangfeiteng1/vscode-jupyter
VS Code Jupyter extension
Wangfeiteng1/water_vhf_analysis
Notebooks and scripts to run VHF analyses of water
Wangfeiteng1/WaterStructureCreator
Package for creating systematically static 2D water structures at surfaces.
Wangfeiteng1/WHAM-Hummer