QuanSheng Wu (吴泉生)'s Projects
100-Days-Of-ML-Code中文版
100天机器学习 (翻译+ 实操)
The official repository for the AiiDA code
Collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.
A curated list of awesome Deep Learning tutorials, projects and communities.
Using different methods to calculate Chern number for Haldane model with disorder
CUDA Library Samples
A deep learning package for many-body potential energy representation and molecular dynamics
Model API for GALACTICA
A Python package to compute similarities between molecules and structures
ColorBrewer color schemes for gnuplot
material template system
Autoencoder network for learning a continuous representation of molecular structures.
Inference code for LLaMA models
An Extensible Toolkit for Finetuning and Inference of Large Foundation Models. Large Model for All.
An example Jupyter app to demonstrate aiida-vasp
merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project
VASP version of pcNN XC functional.
Python Materials Discovery Framework
Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It is currently the core analysis code powering the Materials Project.
A suite of computational materials science tools.
Code for the Selected Columns of the Density Matrix suite of algorithms
Course on topology in condensed matter
WannierTools: An open-source software package for novel topological materials. Full documentation: