Jia-Xin Zhu's Projects
A toolkit featured artificial intelligence × ab initio for computational chemistry research.
A beautiful, simple, clean, and responsive Jekyll theme for academics
XMU Chenglab Wiki
Quantum chemistry and solid state physics software package
cp2k postprocessing tools
a package for developing machine learning-based chemically accurate energy and density functional models
A deep learning package for many-body potential energy representation and molecular dynamics
DMFF (Differentiable Molecular Force Field) is a Jax-based python package that provides a full differentiable implementation of molecular force field models.
useful tools while doing my research
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
The deep potential generator
DScribe is a python package for creating machine learning descriptors for atomistic systems.
Extending and Modifying LAMMPS Writing Your Own Source Code, published by Packt
JARVIS-Tools: an open-source software package for data-driven atomistic materials design
Public development project of the LAMMPS MD software package
LAMMPS developer tutorial used in IKKEM HPC.
updated constant potential plugin for LAMMPS
《代码随想录》LeetCode 刷题攻略:200道经典题目刷题顺序,共60w字的详细图解,视频难点剖析,50余张思维导图,支持C++,Java,Python,Go,JavaScript等多语言版本,从此算法学习不再迷茫!🔥🔥 来看看,你会发现相见恨晚!🚀
MDAnalysis is a Python library to analyze molecular dynamics simulations.
A Zotero plugin for syncing items into Notion
Introductory tutorial on TPS, committor analysis, and (MS)TIS with OpenPathSampling
Peregrine: A Pattern-Aware Graph Mining System
Parallel algorithms for MDAnalysis