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100-days-of-ml-code

100-Days-Of-ML-Code中文版

100days-ml-code

100天机器学习 （翻译+ 实操）

aiida-vasp

aiida_core

The official repository for the AiiDA code

arpack-ng

Collection of Fortran77 subroutines designed to solve large scale eigenvalue problems.

awesome-deep-learning

A curated list of awesome Deep Learning tutorials, projects and communities.

chernnumber

Using different methods to calculate Chern number for Haldane model with disorder

cudalibrarysamples

CUDA Library Samples

deepmd-kit

A deep learning package for many-body potential energy representation and molecular dynamics

fuchsia

galai

Model API for GALACTICA

glosim

A Python package to compute similarities between molecules and structures

gnuplot-colorbrewer

ColorBrewer color schemes for gnuplot

high-throughput-website

material template system

keras-molecules

Autoencoder network for learning a continuous representation of molecular structures.

llama

Inference code for LLaMA models

lmflow

An Extensible Toolkit for Finetuning and Inference of Large Foundation Models. Large Model for All.

maxent

mc-vasp-example

An example Jupyter app to demonstrate aiida-vasp

mpworks

merges pymatgen, custodian, and FireWorks into a custom workflow for Materials Project

pcnn_solid

VASP version of pcNN XC functional.

pychemia

Python Materials Discovery Framework

pymatgen

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.

qmpy

A suite of computational materials science tools.

quanshengwu.github.io

scdm

Code for the Selected Columns of the Density Matrix suite of algorithms

tbtool

test-sphinx

topocm_content

Course on topology in condensed matter

wannier_tools

WannierTools: An open-source software package for novel topological materials. Full documentation: