Pinned Repositories
BandAlignmentTutorial
chenglabwiki.github.io
XMU Chenglab Wiki
cp2k
Quantum chemistry and solid state physics software package
cp2kdata
cp2k postprocessing tools
Cython_tut
deepmd-jax
A lightweight DeepPotentialMD with JAX backend, and more than that! Built for both performance and flexibility.
deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
DeePMD-kit-Fortran-Cpp-interface
ECToolkits
A package to process electrochemical results from atomistic simulations.
pycp2k
Python Cp2k interface
robinzyb's Repositories
robinzyb/cp2kdata
cp2k postprocessing tools
robinzyb/ECToolkits
A package to process electrochemical results from atomistic simulations.
robinzyb/DeePMD-kit-Fortran-Cpp-interface
robinzyb/pycp2k
Python Cp2k interface
robinzyb/BandAlignmentTutorial
robinzyb/chenglabwiki.github.io
XMU Chenglab Wiki
robinzyb/cp2k
Quantum chemistry and solid state physics software package
robinzyb/Cython_tut
robinzyb/deepmd-jax
A lightweight DeepPotentialMD with JAX backend, and more than that! Built for both performance and flexibility.
robinzyb/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
robinzyb/deepmd-tutorial
private deepmd-tutorial file
robinzyb/docs
robinzyb/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
robinzyb/dpdispatcher
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
robinzyb/dpgen
The deep potential generator to generate a deep-learning based model of interatomic potential energy and force field
robinzyb/github-actions-for-ci
robinzyb/HFpy
Simple Hartree Fock Program practice
robinzyb/RECOM
robinzyb/robinzyb.github.io
myblog for github
robinzyb/robinzyb_blog_src
robinzyb/rtdtutorial
robinzyb/ScientificFortran
robinzyb/staged-recipes
A place to submit conda recipes before they become fully fledged conda-forge feedstocks
robinzyb/stringmethod
Python implementation of the string method to compute the minimum energy path between two points on any 2-dimensional energy landscape.
robinzyb/waterdynamics
Analysis of water dynamics in molecular dynamics trajectories and water interactions with other molecules.
robinzyb/XMU-Undergraduate-thesis-template
A LaTeX template