PKUfjh
PhD student in condensed matter theory. Interested in AI applied in science.
Peking UniversityBeijing
Pinned Repositories
rid-kit
Reinforced dynamics
abacus-develop
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
alphaflow
AlphaFold Meets Flow Matching for Generating Protein Ensembles
auto-web-template
This is the template for web auto process
DecryptLogin
DecryptLogin: APIs for loginning some websites by using requests.
deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional models
molecular_simulation
PKUfjh.github.io
rid-kit
Reinforced dynamics
PKUfjh's Repositories
PKUfjh/rid-kit
Reinforced dynamics
PKUfjh/molecular_simulation
PKUfjh/alphaflow
AlphaFold Meets Flow Matching for Generating Protein Ensembles
PKUfjh/auto-web-template
This is the template for web auto process
PKUfjh/DecryptLogin
DecryptLogin: APIs for loginning some websites by using requests.
PKUfjh/deepchem
Democratizing Deep-Learning for Drug Discovery, Quantum Chemistry, Materials Science and Biology
PKUfjh/deepks-kit
a package for developing machine learning-based chemically accurate energy and density functional models
PKUfjh/deepmd-kit
A deep learning package for many-body potential energy representation and molecular dynamics
PKUfjh/deepqmc
Deep learning quantum Monte Carlo for electrons in real space
PKUfjh/dflow
Dflow is a Python framework for constructing scientific computing workflows (e.g. concurrent learning workflows) employing Argo Workflows as the workflow engine.
PKUfjh/docker-files
PKUfjh/dpdata
Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
PKUfjh/ML-in-condensed-matter-physics
PKUfjh/PKUfjh.github.io
PKUfjh/dpdispatcher
generate HPC scheduler systems jobs input scripts and submit these scripts to HPC systems and poke until they finish
PKUfjh/dpgen
The deep potential generator
PKUfjh/ferminet
An implementation of the Fermionic Neural Network for ab-initio electronic structure calculations
PKUfjh/Gencorr
Generalized Correlation based on mutual information
PKUfjh/GPUMD
Graphics Processing Units Molecular Dynamics
PKUfjh/lammpscn2
[WIP] Refactoring lammpscn website
PKUfjh/PKU_Venues_Auto_Book
智慧场馆自动预约（解决了滑块验证码识别问题）
PKUfjh/PKUAutoSubmit
PKU一键出入校备案小工具
PKUfjh/poscar2xsf
Convert a POSCAR-format-like file to a XSF file (visualized by XCrySDen)
PKUfjh/protein_flow
This is the repo to generate data for training generative models for protein
PKUfjh/qndxx-beijing
PKUfjh/rid-feedstock
Conda package for rid-kit
PKUfjh/RiD-images
Images in RiD
PKUfjh/sphinx-tutorial
This is the repo for me to learn sphinx
PKUfjh/Uni-Core
an efficient distributed PyTorch framework
PKUfjh/Uni-Fold
An open-source platform for developing protein models beyond AlphaFold.